Natural Product: NPC477054

Natural Product ID:  NPC477054
Common Name:   [(E,5R)-5-[(3S,5R,8S,9S,10R,13R,14S,17R)-3,5-dihydroxy-10,13-dimethyl-6-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhex-3-enyl] acetate
IUPAC Name:   [(E,5R)-5-[(3S,5R,8S,9S,10R,13R,14S,17R)-3,5-dihydroxy-10,13-dimethyl-6-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhex-3-enyl] acetate
Synonyms:  
Molecular Formula:   C28H44O5
Standard InCHIKey:  NINJYUUIBJCPFX-QOJHEMPSSA-N
Standard InCHI:  InChI=1S/C28H44O5/c1-17(16-33-19(3)29)6-7-18(2)22-8-9-23-21-14-25(31)28(32)15-20(30)10-13-27(28,5)24(21)11-12-26(22,23)4/h6-7,17-18,20-24,30,32H,8-16H2,1-5H3/b7-6+/t17?,18-,20+,21+,22-,23+,24+,26-,27-,28+/m1/s1
Canonical SMILES:  O[C@H]1CC[C@]2([C@@](C1)(O)C(=O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/C(COC(=O)C)C)C)C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO33679 Echinogorgia rebekka Species Paramuriceidae Eukaryota the coral reef of Weizhou Island in the South China Sea, China 2010-APR PMID[24882250]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT70 Organism Respiratory syncytial virus Respiratory syncytial virus IC50 = 3230 nM 24882250
NPT2 Others Unspecified TC50 = 12.9 nM 24882250
NPT111 Cell Line K562 Homo sapiens IC50 = 4190 nM 24882250

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC477054 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9894 High Similarity NPC477051
0.9894 High Similarity NPC477053
0.9894 High Similarity NPC477052
0.9091 High Similarity NPC222153
0.9072 High Similarity NPC119036
0.9072 High Similarity NPC191565
0.9 High Similarity NPC29705
0.8958 High Similarity NPC279974
0.8737 High Similarity NPC46758
0.8713 High Similarity NPC249187
0.8713 High Similarity NPC247957
0.87 High Similarity NPC118964
0.8687 High Similarity NPC477854
0.8673 High Similarity NPC471903
0.866 High Similarity NPC209662
0.8586 High Similarity NPC108078
0.8585 High Similarity NPC280782
0.8558 High Similarity NPC472219
0.8558 High Similarity NPC472218
0.8558 High Similarity NPC472217
0.8558 High Similarity NPC94529
0.8544 High Similarity NPC257353
0.8544 High Similarity NPC196528
0.8526 High Similarity NPC193360
0.85 High Similarity NPC474724
0.8485 Intermediate Similarity NPC477853
0.8476 Intermediate Similarity NPC173905
0.8476 Intermediate Similarity NPC5475
0.8476 Intermediate Similarity NPC284828
0.8476 Intermediate Similarity NPC472216
0.8469 Intermediate Similarity NPC196485
0.8469 Intermediate Similarity NPC245972
0.8462 Intermediate Similarity NPC263729
0.8462 Intermediate Similarity NPC131665
0.8462 Intermediate Similarity NPC255387
0.8462 Intermediate Similarity NPC59530
0.8447 Intermediate Similarity NPC72255
0.8447 Intermediate Similarity NPC201763
0.8447 Intermediate Similarity NPC471293
0.8438 Intermediate Similarity NPC475921
0.8438 Intermediate Similarity NPC474245
0.8438 Intermediate Similarity NPC474704
0.8431 Intermediate Similarity NPC22388
0.8411 Intermediate Similarity NPC71348
0.8384 Intermediate Similarity NPC469599
0.8381 Intermediate Similarity NPC163216
0.8367 Intermediate Similarity NPC141497
0.8367 Intermediate Similarity NPC470224
0.8367 Intermediate Similarity NPC107674
0.8367 Intermediate Similarity NPC170220
0.8365 Intermediate Similarity NPC231530
0.8365 Intermediate Similarity NPC472655
0.8365 Intermediate Similarity NPC278628
0.8364 Intermediate Similarity NPC146786
0.8351 Intermediate Similarity NPC471896
0.835 Intermediate Similarity NPC312900
0.835 Intermediate Similarity NPC36688
0.835 Intermediate Similarity NPC191892
0.8317 Intermediate Similarity NPC78427
0.8317 Intermediate Similarity NPC20479
0.8317 Intermediate Similarity NPC28864
0.8317 Intermediate Similarity NPC38471
0.8317 Intermediate Similarity NPC162459
0.8317 Intermediate Similarity NPC98837
0.8317 Intermediate Similarity NPC477653
0.8317 Intermediate Similarity NPC38296
0.8317 Intermediate Similarity NPC114274
0.8317 Intermediate Similarity NPC16911
0.8302 Intermediate Similarity NPC257082
0.8302 Intermediate Similarity NPC285298
0.83 Intermediate Similarity NPC62516
0.83 Intermediate Similarity NPC157113
0.83 Intermediate Similarity NPC49371
0.83 Intermediate Similarity NPC327788
0.8286 Intermediate Similarity NPC44063
0.8286 Intermediate Similarity NPC42847
0.8286 Intermediate Similarity NPC64844
0.8283 Intermediate Similarity NPC159365
0.8283 Intermediate Similarity NPC159410
0.8269 Intermediate Similarity NPC160843
0.8269 Intermediate Similarity NPC47281
0.8265 Intermediate Similarity NPC86266
0.8265 Intermediate Similarity NPC110657
0.8265 Intermediate Similarity NPC198054
0.8265 Intermediate Similarity NPC297265
0.8265 Intermediate Similarity NPC26888
0.8265 Intermediate Similarity NPC212301
0.8252 Intermediate Similarity NPC88203
0.8252 Intermediate Similarity NPC304832
0.8252 Intermediate Similarity NPC214946
0.8252 Intermediate Similarity NPC76866
0.8252 Intermediate Similarity NPC148628
0.8252 Intermediate Similarity NPC246736
0.8252 Intermediate Similarity NPC286519
0.8252 Intermediate Similarity NPC193934
0.8252 Intermediate Similarity NPC476081
0.8252 Intermediate Similarity NPC271980
0.8247 Intermediate Similarity NPC128496
0.8235 Intermediate Similarity NPC15390
0.8235 Intermediate Similarity NPC293866
0.8235 Intermediate Similarity NPC167974
0.8235 Intermediate Similarity NPC287676
0.8235 Intermediate Similarity NPC327431
0.8235 Intermediate Similarity NPC83709
0.8229 Intermediate Similarity NPC474684
0.8229 Intermediate Similarity NPC142361
0.8218 Intermediate Similarity NPC253586
0.8218 Intermediate Similarity NPC476879
0.8218 Intermediate Similarity NPC476878
0.8218 Intermediate Similarity NPC10864
0.82 Intermediate Similarity NPC469329
0.82 Intermediate Similarity NPC30677
0.82 Intermediate Similarity NPC180557
0.82 Intermediate Similarity NPC98639
0.82 Intermediate Similarity NPC37787
0.82 Intermediate Similarity NPC473415
0.82 Intermediate Similarity NPC84383
0.82 Intermediate Similarity NPC210214
0.819 Intermediate Similarity NPC50535
0.819 Intermediate Similarity NPC28791
0.819 Intermediate Similarity NPC475494
0.819 Intermediate Similarity NPC166607
0.8182 Intermediate Similarity NPC148458
0.8182 Intermediate Similarity NPC244356
0.8182 Intermediate Similarity NPC12722
0.8182 Intermediate Similarity NPC270958
0.8182 Intermediate Similarity NPC470376
0.8182 Intermediate Similarity NPC294263
0.8182 Intermediate Similarity NPC224060
0.8182 Intermediate Similarity NPC470375
0.8173 Intermediate Similarity NPC120321
0.8173 Intermediate Similarity NPC112009
0.8173 Intermediate Similarity NPC478057
0.8173 Intermediate Similarity NPC140723
0.8165 Intermediate Similarity NPC202889
0.8163 Intermediate Similarity NPC111585
0.8163 Intermediate Similarity NPC148414
0.8163 Intermediate Similarity NPC175628
0.8155 Intermediate Similarity NPC121218
0.8155 Intermediate Similarity NPC289670
0.8155 Intermediate Similarity NPC115899
0.8155 Intermediate Similarity NPC46848
0.8155 Intermediate Similarity NPC235142
0.8155 Intermediate Similarity NPC253886
0.8155 Intermediate Similarity NPC52899
0.8155 Intermediate Similarity NPC289148
0.8155 Intermediate Similarity NPC476897
0.8155 Intermediate Similarity NPC163963
0.8155 Intermediate Similarity NPC256247
0.8148 Intermediate Similarity NPC43775
0.8144 Intermediate Similarity NPC242864
0.8144 Intermediate Similarity NPC474719
0.8137 Intermediate Similarity NPC89099
0.8131 Intermediate Similarity NPC241927
0.8131 Intermediate Similarity NPC258543
0.8131 Intermediate Similarity NPC170221
0.8131 Intermediate Similarity NPC10064
0.8131 Intermediate Similarity NPC2766
0.8125 Intermediate Similarity NPC474970
0.8125 Intermediate Similarity NPC51014
0.8125 Intermediate Similarity NPC155011
0.8125 Intermediate Similarity NPC73038
0.8119 Intermediate Similarity NPC120708
0.8119 Intermediate Similarity NPC305483
0.8119 Intermediate Similarity NPC96859
0.8119 Intermediate Similarity NPC173272
0.8119 Intermediate Similarity NPC328162
0.8119 Intermediate Similarity NPC471777
0.8119 Intermediate Similarity NPC29410
0.8119 Intermediate Similarity NPC471153
0.8119 Intermediate Similarity NPC327179
0.8119 Intermediate Similarity NPC200054
0.8113 Intermediate Similarity NPC176949
0.8113 Intermediate Similarity NPC475294
0.8113 Intermediate Similarity NPC86852
0.8113 Intermediate Similarity NPC165873
0.8113 Intermediate Similarity NPC251824
0.8113 Intermediate Similarity NPC201908
0.8108 Intermediate Similarity NPC239273
0.8108 Intermediate Similarity NPC471854
0.81 Intermediate Similarity NPC191412
0.81 Intermediate Similarity NPC49670
0.81 Intermediate Similarity NPC47853
0.81 Intermediate Similarity NPC6818
0.81 Intermediate Similarity NPC114159
0.8095 Intermediate Similarity NPC137657
0.8091 Intermediate Similarity NPC473798
0.8081 Intermediate Similarity NPC474525
0.8081 Intermediate Similarity NPC154101
0.8081 Intermediate Similarity NPC189520
0.8081 Intermediate Similarity NPC475708
0.8077 Intermediate Similarity NPC155332
0.8077 Intermediate Similarity NPC136289
0.8077 Intermediate Similarity NPC170615
0.8077 Intermediate Similarity NPC275990
0.8077 Intermediate Similarity NPC475558
0.8077 Intermediate Similarity NPC32577
0.8077 Intermediate Similarity NPC114540
0.8077 Intermediate Similarity NPC473788
0.8073 Intermediate Similarity NPC475524

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC477054 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8381 Intermediate Similarity NPD6899 Approved
0.8381 Intermediate Similarity NPD6881 Approved
0.8367 Intermediate Similarity NPD6399 Phase 3
0.8365 Intermediate Similarity NPD6675 Approved
0.8365 Intermediate Similarity NPD5739 Approved
0.8365 Intermediate Similarity NPD6402 Approved
0.8365 Intermediate Similarity NPD7128 Approved
0.8318 Intermediate Similarity NPD6650 Approved
0.8318 Intermediate Similarity NPD6649 Approved
0.8302 Intermediate Similarity NPD6372 Approved
0.8302 Intermediate Similarity NPD6373 Approved
0.8286 Intermediate Similarity NPD5697 Approved
0.8224 Intermediate Similarity NPD7102 Approved
0.8224 Intermediate Similarity NPD7290 Approved
0.8224 Intermediate Similarity NPD6883 Approved
0.8218 Intermediate Similarity NPD6084 Phase 2
0.8218 Intermediate Similarity NPD6083 Phase 2
0.8208 Intermediate Similarity NPD7320 Approved
0.8148 Intermediate Similarity NPD6617 Approved
0.8148 Intermediate Similarity NPD6869 Approved
0.8148 Intermediate Similarity NPD6847 Approved
0.8148 Intermediate Similarity NPD8130 Phase 1
0.8131 Intermediate Similarity NPD6012 Approved
0.8131 Intermediate Similarity NPD6013 Approved
0.8131 Intermediate Similarity NPD6014 Approved
0.8113 Intermediate Similarity NPD5701 Approved
0.8073 Intermediate Similarity NPD6882 Approved
0.8073 Intermediate Similarity NPD8297 Approved
0.8037 Intermediate Similarity NPD6011 Approved
0.7961 Intermediate Similarity NPD7638 Approved
0.7961 Intermediate Similarity NPD5696 Approved
0.7917 Intermediate Similarity NPD4786 Approved
0.79 Intermediate Similarity NPD8035 Phase 2
0.79 Intermediate Similarity NPD8034 Phase 2
0.7885 Intermediate Similarity NPD5286 Approved
0.7885 Intermediate Similarity NPD7640 Approved
0.7885 Intermediate Similarity NPD7639 Approved
0.7885 Intermediate Similarity NPD4696 Approved
0.7885 Intermediate Similarity NPD5285 Approved
0.7864 Intermediate Similarity NPD4755 Approved
0.7843 Intermediate Similarity NPD5695 Phase 3
0.7838 Intermediate Similarity NPD4632 Approved
0.7835 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7818 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7788 Intermediate Similarity NPD7115 Discovery
0.7778 Intermediate Similarity NPD6672 Approved
0.7778 Intermediate Similarity NPD5737 Approved
0.7767 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7767 Intermediate Similarity NPD5222 Approved
0.7767 Intermediate Similarity NPD4697 Phase 3
0.7767 Intermediate Similarity NPD5221 Approved
0.7755 Intermediate Similarity NPD3618 Phase 1
0.7745 Intermediate Similarity NPD7748 Approved
0.7739 Intermediate Similarity NPD6319 Approved
0.7736 Intermediate Similarity NPD4633 Approved
0.7736 Intermediate Similarity NPD5225 Approved
0.7736 Intermediate Similarity NPD5224 Approved
0.7736 Intermediate Similarity NPD5211 Phase 2
0.7736 Intermediate Similarity NPD5226 Approved
0.7723 Intermediate Similarity NPD7515 Phase 2
0.7723 Intermediate Similarity NPD6079 Approved
0.7714 Intermediate Similarity NPD4700 Approved
0.7708 Intermediate Similarity NPD3667 Approved
0.7706 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.77 Intermediate Similarity NPD4753 Phase 2
0.77 Intermediate Similarity NPD5328 Approved
0.7692 Intermediate Similarity NPD5173 Approved
0.7692 Intermediate Similarity NPD7902 Approved
0.7685 Intermediate Similarity NPD6008 Approved
0.767 Intermediate Similarity NPD5210 Approved
0.767 Intermediate Similarity NPD4629 Approved
0.7664 Intermediate Similarity NPD5174 Approved
0.7664 Intermediate Similarity NPD5175 Approved
0.766 Intermediate Similarity NPD6115 Approved
0.766 Intermediate Similarity NPD6118 Approved
0.766 Intermediate Similarity NPD6114 Approved
0.766 Intermediate Similarity NPD6697 Approved
0.7652 Intermediate Similarity NPD7100 Approved
0.7652 Intermediate Similarity NPD7101 Approved
0.7642 Intermediate Similarity NPD5223 Approved
0.7632 Intermediate Similarity NPD6009 Approved
0.7627 Intermediate Similarity NPD7492 Approved
0.7593 Intermediate Similarity NPD5141 Approved
0.7586 Intermediate Similarity NPD6054 Approved
0.7583 Intermediate Similarity NPD7736 Approved
0.7576 Intermediate Similarity NPD6098 Approved
0.7568 Intermediate Similarity NPD4634 Approved
0.7565 Intermediate Similarity NPD6335 Approved
0.7563 Intermediate Similarity NPD6616 Approved
0.7549 Intermediate Similarity NPD7637 Suspended
0.7544 Intermediate Similarity NPD6868 Approved
0.7544 Intermediate Similarity NPD6274 Approved
0.7542 Intermediate Similarity NPD7604 Phase 2
0.7525 Intermediate Similarity NPD6673 Approved
0.7525 Intermediate Similarity NPD6080 Approved
0.7525 Intermediate Similarity NPD6904 Approved
0.7521 Intermediate Similarity NPD5983 Phase 2
0.75 Intermediate Similarity NPD7078 Approved
0.75 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7525 Registered
0.7478 Intermediate Similarity NPD6317 Approved
0.7476 Intermediate Similarity NPD4202 Approved
0.7458 Intermediate Similarity NPD6370 Approved
0.7447 Intermediate Similarity NPD6117 Approved
0.7436 Intermediate Similarity NPD6059 Approved
0.7426 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD6336 Discontinued
0.7414 Intermediate Similarity NPD6313 Approved
0.7414 Intermediate Similarity NPD6314 Approved
0.7404 Intermediate Similarity NPD7900 Approved
0.7404 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD6684 Approved
0.74 Intermediate Similarity NPD7334 Approved
0.74 Intermediate Similarity NPD7146 Approved
0.74 Intermediate Similarity NPD7521 Approved
0.74 Intermediate Similarity NPD6409 Approved
0.74 Intermediate Similarity NPD5330 Approved
0.7387 Intermediate Similarity NPD4729 Approved
0.7387 Intermediate Similarity NPD4730 Approved
0.7373 Intermediate Similarity NPD6908 Approved
0.7373 Intermediate Similarity NPD6909 Approved
0.7373 Intermediate Similarity NPD6015 Approved
0.7373 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7373 Intermediate Similarity NPD6016 Approved
0.7368 Intermediate Similarity NPD6116 Phase 1
0.7364 Intermediate Similarity NPD4767 Approved
0.7364 Intermediate Similarity NPD4768 Approved
0.7355 Intermediate Similarity NPD8293 Discontinued
0.7339 Intermediate Similarity NPD4754 Approved
0.7311 Intermediate Similarity NPD5988 Approved
0.73 Intermediate Similarity NPD5329 Approved
0.7273 Intermediate Similarity NPD6695 Phase 3
0.7257 Intermediate Similarity NPD5247 Approved
0.7257 Intermediate Similarity NPD5249 Phase 3
0.7257 Intermediate Similarity NPD5248 Approved
0.7257 Intermediate Similarity NPD5251 Approved
0.7257 Intermediate Similarity NPD5250 Approved
0.7255 Intermediate Similarity NPD6903 Approved
0.7248 Intermediate Similarity NPD7632 Discontinued
0.7245 Intermediate Similarity NPD5369 Approved
0.7234 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD5128 Approved
0.7228 Intermediate Similarity NPD5279 Phase 3
0.7212 Intermediate Similarity NPD6411 Approved
0.7212 Intermediate Similarity NPD5281 Approved
0.7212 Intermediate Similarity NPD5694 Approved
0.7212 Intermediate Similarity NPD5693 Phase 1
0.7212 Intermediate Similarity NPD5284 Approved
0.7212 Intermediate Similarity NPD6050 Approved
0.72 Intermediate Similarity NPD4197 Approved
0.72 Intermediate Similarity NPD3668 Phase 3
0.72 Intermediate Similarity NPD3665 Phase 1
0.72 Intermediate Similarity NPD3133 Approved
0.72 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD3666 Approved
0.7193 Intermediate Similarity NPD5216 Approved
0.7193 Intermediate Similarity NPD5217 Approved
0.7193 Intermediate Similarity NPD5215 Approved
0.7143 Intermediate Similarity NPD6412 Phase 2
0.7131 Intermediate Similarity NPD7507 Approved
0.7115 Intermediate Similarity NPD5692 Phase 3
0.7113 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD8328 Phase 3
0.7105 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD5135 Approved
0.7105 Intermediate Similarity NPD5169 Approved
0.71 Intermediate Similarity NPD4788 Approved
0.7097 Intermediate Similarity NPD7319 Approved
0.708 Intermediate Similarity NPD5168 Approved
0.7075 Intermediate Similarity NPD6001 Approved
0.7059 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD5690 Phase 2
0.7043 Intermediate Similarity NPD5127 Approved
0.7034 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD6101 Approved
0.7018 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD6932 Approved
0.7 Intermediate Similarity NPD4221 Approved
0.7 Intermediate Similarity NPD4223 Phase 3
0.7 Intermediate Similarity NPD6435 Approved
0.699 Remote Similarity NPD7750 Discontinued
0.699 Remote Similarity NPD7524 Approved
0.699 Remote Similarity NPD3573 Approved
0.6981 Remote Similarity NPD5778 Approved
0.6981 Remote Similarity NPD5779 Approved
0.6979 Remote Similarity NPD3703 Phase 2
0.6979 Remote Similarity NPD7339 Approved
0.6979 Remote Similarity NPD6942 Approved
0.6975 Remote Similarity NPD7328 Approved
0.6975 Remote Similarity NPD7327 Approved
0.6972 Remote Similarity NPD4225 Approved
0.697 Remote Similarity NPD6930 Phase 2
0.697 Remote Similarity NPD6931 Approved
0.6957 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6952 Remote Similarity NPD5207 Approved

Structure

External Identifiers

PubChem CID   90680711
ChEMBL   CHEMBL3286883
ZINC  

Physicochemical Properties

Molecular Weight:  460.32
ALogP:  0.1747
MLogP:  3.99
XLogP:  6.227
# Rotatable Bonds:  13
Polar Surface Area:  83.83
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  33

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs