Natural Product: NPC476948

Natural Product ID:  NPC476948
Common Name:   (2S,3aS,4S,5aS,9aS,9bR)-2-[(E)-4-hydroxybut-2-en-2-yl]-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-4-ol
IUPAC Name:   (2S,3aS,4S,5aS,9aS,9bR)-2-[(E)-4-hydroxybut-2-en-2-yl]-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-4-ol
Synonyms:  
Molecular Formula:   C20H34O3
Standard InCHIKey:  POGFNKXITAADKD-ZPAHIADASA-N
Standard InCHI:  InChI=1S/C20H34O3/c1-13(7-10-21)14-11-16-19(4)9-6-8-18(2,3)15(19)12-17(22)20(16,5)23-14/h7,14-17,21-22H,6,8-12H2,1-5H3/b13-7+/t14-,15-,16+,17-,19-,20-/m0/s1
Canonical SMILES:  OC/C=C(/[C@@H]1C[C@H]2[C@@](O1)(C)[C@@H](O)C[C@@H]1[C@]2(C)CCCC1(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
NPO33579 Croton laui Species Euphorbiaceae Eukaryota Twigs Hainan Province, China PMID[24735527]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens IC50 >= 10000 nM 24735527
NPT168 Cell Line P388 Mus musculus IC50 >= 10000 nM 24735527
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 150000 nM 24735527
NPT1277 Organism Staphylococcus epidermidis ATCC 12228 Staphylococcus epidermidis ATCC 12228 MIC > 150000 nM 24735527
NPT2 Others Unspecified MIC > 150000 nM 24735527
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC > 150000 nM 24735527
NPT19 Organism Escherichia coli Escherichia coli MIC > 150000 nM 24735527
NPT2909 Organism Shigella flexneri Shigella flexneri MIC > 150000 nM 24735527
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 150000 nM 24735527
NPT20 Organism Candida albicans Candida albicans MIC > 150000 nM 24735527
NPT1533 Organism Saccharomyces Saccharomyces MIC > 150000 nM 24735527
NPT327 Organism Microsporum gypseum Microsporum gypseum MIC > 150000 nM 24735527
NPT329 Organism Trichophyton rubrum Trichophyton rubrum MIC > 150000 nM 24735527

  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 NPC476948 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
0.9146 High Similarity NPC155521
0.8587 High Similarity NPC26307
0.8571 High Similarity NPC8774
0.8554 High Similarity NPC476367
0.8554 High Similarity NPC72755
0.8523 High Similarity NPC133588
0.8519 High Similarity NPC32832
0.8506 High Similarity NPC255143
0.8478 Intermediate Similarity NPC98457
0.8478 Intermediate Similarity NPC227583
0.8478 Intermediate Similarity NPC288970
0.8478 Intermediate Similarity NPC72204
0.8478 Intermediate Similarity NPC12103
0.8471 Intermediate Similarity NPC471408
0.8462 Intermediate Similarity NPC65402
0.8462 Intermediate Similarity NPC144202
0.8462 Intermediate Similarity NPC127718
0.8427 Intermediate Similarity NPC477917
0.8409 Intermediate Similarity NPC166857
0.8404 Intermediate Similarity NPC38855
0.8395 Intermediate Similarity NPC306727
0.8395 Intermediate Similarity NPC476366
0.8395 Intermediate Similarity NPC201048
0.8352 Intermediate Similarity NPC27531
0.8352 Intermediate Similarity NPC307776
0.8333 Intermediate Similarity NPC233295
0.8333 Intermediate Similarity NPC295668
0.8315 Intermediate Similarity NPC474668
0.8313 Intermediate Similarity NPC470758
0.8313 Intermediate Similarity NPC470711
0.828 Intermediate Similarity NPC103165
0.828 Intermediate Similarity NPC210717
0.8276 Intermediate Similarity NPC470077
0.8276 Intermediate Similarity NPC83702
0.8276 Intermediate Similarity NPC15534
0.8256 Intermediate Similarity NPC470049
0.8235 Intermediate Similarity NPC474592
0.8229 Intermediate Similarity NPC472815
0.8222 Intermediate Similarity NPC115607
0.8222 Intermediate Similarity NPC246028
0.8222 Intermediate Similarity NPC470361
0.8202 Intermediate Similarity NPC189777
0.8193 Intermediate Similarity NPC470749
0.8191 Intermediate Similarity NPC210337
0.8182 Intermediate Similarity NPC274448
0.8161 Intermediate Similarity NPC477978
0.8161 Intermediate Similarity NPC470558
0.8161 Intermediate Similarity NPC317458
0.8152 Intermediate Similarity NPC53555
0.8152 Intermediate Similarity NPC119379
0.8148 Intermediate Similarity NPC167706
0.8144 Intermediate Similarity NPC473523
0.814 Intermediate Similarity NPC70927
0.814 Intermediate Similarity NPC249423
0.814 Intermediate Similarity NPC476646
0.8132 Intermediate Similarity NPC11216
0.8132 Intermediate Similarity NPC291484
0.8132 Intermediate Similarity NPC80561
0.8132 Intermediate Similarity NPC329596
0.8132 Intermediate Similarity NPC191323
0.8132 Intermediate Similarity NPC204188
0.8132 Intermediate Similarity NPC3345
0.8125 Intermediate Similarity NPC475617
0.8111 Intermediate Similarity NPC280556
0.8111 Intermediate Similarity NPC471952
0.8105 Intermediate Similarity NPC476895
0.8095 Intermediate Similarity NPC477427
0.8095 Intermediate Similarity NPC477425
0.8095 Intermediate Similarity NPC477426
0.8095 Intermediate Similarity NPC474826
0.8095 Intermediate Similarity NPC130136
0.809 Intermediate Similarity NPC475069
0.809 Intermediate Similarity NPC94462
0.809 Intermediate Similarity NPC261266
0.809 Intermediate Similarity NPC175145
0.809 Intermediate Similarity NPC6391
0.809 Intermediate Similarity NPC125399
0.8085 Intermediate Similarity NPC90583
0.8085 Intermediate Similarity NPC88009
0.8068 Intermediate Similarity NPC474047
0.8065 Intermediate Similarity NPC105490
0.8065 Intermediate Similarity NPC189513
0.8061 Intermediate Similarity NPC473543
0.8046 Intermediate Similarity NPC304285
0.8046 Intermediate Similarity NPC296701
0.8046 Intermediate Similarity NPC218616
0.8043 Intermediate Similarity NPC41554
0.8043 Intermediate Similarity NPC210268
0.8043 Intermediate Similarity NPC275671
0.8043 Intermediate Similarity NPC97404
0.8043 Intermediate Similarity NPC114389
0.8023 Intermediate Similarity NPC13554
0.8023 Intermediate Similarity NPC96362
0.8023 Intermediate Similarity NPC236112
0.8023 Intermediate Similarity NPC287749
0.8022 Intermediate Similarity NPC97103
0.8022 Intermediate Similarity NPC259875
0.8022 Intermediate Similarity NPC82876
0.8022 Intermediate Similarity NPC187785
0.8022 Intermediate Similarity NPC20946
0.8021 Intermediate Similarity NPC230546
0.8021 Intermediate Similarity NPC272223
0.8021 Intermediate Similarity NPC473510
0.8 Intermediate Similarity NPC83351
0.8 Intermediate Similarity NPC149224
0.8 Intermediate Similarity NPC470620
0.8 Intermediate Similarity NPC476893
0.8 Intermediate Similarity NPC233744
0.8 Intermediate Similarity NPC38948
0.8 Intermediate Similarity NPC11908
0.8 Intermediate Similarity NPC167891
0.8 Intermediate Similarity NPC261807
0.8 Intermediate Similarity NPC137587
0.7979 Intermediate Similarity NPC276110
0.7979 Intermediate Similarity NPC476720
0.7979 Intermediate Similarity NPC135224
0.7979 Intermediate Similarity NPC476894
0.7979 Intermediate Similarity NPC477970
0.7979 Intermediate Similarity NPC477969
0.7979 Intermediate Similarity NPC100892
0.7978 Intermediate Similarity NPC290731
0.7978 Intermediate Similarity NPC35933
0.7978 Intermediate Similarity NPC266511
0.7978 Intermediate Similarity NPC470360
0.7978 Intermediate Similarity NPC157257
0.7976 Intermediate Similarity NPC253190
0.7976 Intermediate Similarity NPC265588
0.7959 Intermediate Similarity NPC474124
0.7959 Intermediate Similarity NPC281378
0.7957 Intermediate Similarity NPC7349
0.7957 Intermediate Similarity NPC98193
0.7955 Intermediate Similarity NPC207013
0.7955 Intermediate Similarity NPC474634
0.7955 Intermediate Similarity NPC185605
0.7938 Intermediate Similarity NPC11974
0.7938 Intermediate Similarity NPC472554
0.7938 Intermediate Similarity NPC476896
0.7935 Intermediate Similarity NPC77796
0.7935 Intermediate Similarity NPC92885
0.7935 Intermediate Similarity NPC476226
0.7935 Intermediate Similarity NPC470817
0.7935 Intermediate Similarity NPC78973
0.7931 Intermediate Similarity NPC474731
0.7931 Intermediate Similarity NPC474752
0.7931 Intermediate Similarity NPC209620
0.7931 Intermediate Similarity NPC474531
0.7931 Intermediate Similarity NPC7505
0.7931 Intermediate Similarity NPC474683
0.7931 Intermediate Similarity NPC23852
0.7931 Intermediate Similarity NPC474759
0.7931 Intermediate Similarity NPC82986
0.7927 Intermediate Similarity NPC471268
0.7927 Intermediate Similarity NPC471271
0.7921 Intermediate Similarity NPC206618
0.7917 Intermediate Similarity NPC247233
0.7912 Intermediate Similarity NPC473436
0.7907 Intermediate Similarity NPC472463
0.7907 Intermediate Similarity NPC30986
0.7907 Intermediate Similarity NPC209430
0.79 Intermediate Similarity NPC187435
0.79 Intermediate Similarity NPC67321
0.79 Intermediate Similarity NPC471205
0.7889 Intermediate Similarity NPC329692
0.7889 Intermediate Similarity NPC476217
0.7889 Intermediate Similarity NPC71520
0.7889 Intermediate Similarity NPC299068
0.7889 Intermediate Similarity NPC269058
0.7882 Intermediate Similarity NPC91594
0.7882 Intermediate Similarity NPC471798
0.7882 Intermediate Similarity NPC470750
0.7882 Intermediate Similarity NPC470751
0.7872 Intermediate Similarity NPC57117
0.7872 Intermediate Similarity NPC473258
0.7872 Intermediate Similarity NPC472360
0.7872 Intermediate Similarity NPC472416
0.7865 Intermediate Similarity NPC102048
0.7865 Intermediate Similarity NPC185568
0.7857 Intermediate Similarity NPC477923
0.7857 Intermediate Similarity NPC12696
0.7857 Intermediate Similarity NPC11956
0.7857 Intermediate Similarity NPC66566
0.7857 Intermediate Similarity NPC472552
0.7857 Intermediate Similarity NPC476471
0.7857 Intermediate Similarity NPC475344
0.7841 Intermediate Similarity NPC49964
0.7841 Intermediate Similarity NPC30166
0.7841 Intermediate Similarity NPC87489
0.7841 Intermediate Similarity NPC50964
0.7835 Intermediate Similarity NPC324841
0.7835 Intermediate Similarity NPC188968
0.7831 Intermediate Similarity NPC95165
0.7826 Intermediate Similarity NPC170633
0.7826 Intermediate Similarity NPC49783
0.7826 Intermediate Similarity NPC470819
0.7822 Intermediate Similarity NPC88701
0.7822 Intermediate Similarity NPC306265
0.7816 Intermediate Similarity NPC95124
0.7816 Intermediate Similarity NPC471266
0.7816 Intermediate Similarity NPC295131
0.7812 Intermediate Similarity NPC473244

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476948 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
0.8 Intermediate Similarity NPD7524 Approved
0.7732 Intermediate Similarity NPD4225 Approved
0.7653 Intermediate Similarity NPD7639 Approved
0.7653 Intermediate Similarity NPD7640 Approved
0.7614 Intermediate Similarity NPD7525 Registered
0.7556 Intermediate Similarity NPD6695 Phase 3
0.7551 Intermediate Similarity NPD7638 Approved
0.75 Intermediate Similarity NPD7645 Phase 2
0.7473 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7416 Intermediate Similarity NPD6930 Phase 2
0.7416 Intermediate Similarity NPD6931 Approved
0.7356 Intermediate Similarity NPD6933 Approved
0.7303 Intermediate Similarity NPD6929 Approved
0.7241 Intermediate Similarity NPD6942 Approved
0.7241 Intermediate Similarity NPD7339 Approved
0.7234 Intermediate Similarity NPD7750 Discontinued
0.7228 Intermediate Similarity NPD5344 Discontinued
0.7228 Intermediate Similarity NPD4159 Approved
0.7222 Intermediate Similarity NPD7332 Phase 2
0.7222 Intermediate Similarity NPD7514 Phase 3
0.7159 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD6924 Approved
0.7126 Intermediate Similarity NPD6926 Approved
0.7117 Intermediate Similarity NPD7516 Approved
0.7079 Intermediate Similarity NPD5776 Phase 2
0.7079 Intermediate Similarity NPD6925 Approved
0.7075 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD8264 Approved
0.7027 Intermediate Similarity NPD7327 Approved
0.7027 Intermediate Similarity NPD7328 Approved
0.7021 Intermediate Similarity NPD6893 Approved
0.7 Intermediate Similarity NPD7322 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7145 Approved
0.699 Remote Similarity NPD7632 Discontinued
0.6957 Remote Similarity NPD6902 Approved
0.6957 Remote Similarity NPD6898 Phase 1
0.6939 Remote Similarity NPD7087 Discontinued
0.6937 Remote Similarity NPD7115 Discovery
0.6903 Remote Similarity NPD8377 Approved
0.6903 Remote Similarity NPD8294 Approved
0.6889 Remote Similarity NPD6932 Approved
0.6848 Remote Similarity NPD7509 Discontinued
0.6842 Remote Similarity NPD8335 Approved
0.6842 Remote Similarity NPD8378 Approved
0.6842 Remote Similarity NPD8033 Approved
0.6842 Remote Similarity NPD8379 Approved
0.6842 Remote Similarity NPD8296 Approved
0.6842 Remote Similarity NPD8380 Approved
0.6822 Remote Similarity NPD6686 Approved
0.6796 Remote Similarity NPD6648 Approved
0.6792 Remote Similarity NPD6640 Phase 3
0.6771 Remote Similarity NPD3618 Phase 1
0.6739 Remote Similarity NPD6683 Phase 2
0.6737 Remote Similarity NPD4786 Approved
0.6735 Remote Similarity NPD6051 Approved
0.6735 Remote Similarity NPD5328 Approved
0.6705 Remote Similarity NPD7151 Approved
0.6705 Remote Similarity NPD7152 Approved
0.6705 Remote Similarity NPD7150 Approved
0.6705 Remote Similarity NPD4243 Approved
0.6702 Remote Similarity NPD3667 Approved
0.6697 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6696 Remote Similarity NPD7503 Approved
0.6667 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6922 Approved
0.6667 Remote Similarity NPD6923 Approved
0.6627 Remote Similarity NPD368 Approved
0.661 Remote Similarity NPD7507 Approved
0.66 Remote Similarity NPD7637 Suspended
0.66 Remote Similarity NPD6079 Approved
0.6591 Remote Similarity NPD7143 Approved
0.6591 Remote Similarity NPD7144 Approved
0.6556 Remote Similarity NPD4785 Approved
0.6556 Remote Similarity NPD4784 Approved
0.6535 Remote Similarity NPD4202 Approved
0.6489 Remote Similarity NPD4748 Discontinued
0.6477 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6471 Remote Similarity NPD371 Approved
0.6471 Remote Similarity NPD7748 Approved
0.6446 Remote Similarity NPD7319 Approved
0.6436 Remote Similarity NPD7515 Phase 2
0.6422 Remote Similarity NPD6412 Phase 2
0.6422 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6392 Remote Similarity NPD3666 Approved
0.6392 Remote Similarity NPD3665 Phase 1
0.6392 Remote Similarity NPD3133 Approved
0.6373 Remote Similarity NPD6399 Phase 3
0.6372 Remote Similarity NPD8133 Approved
0.6372 Remote Similarity NPD4632 Approved
0.6355 Remote Similarity NPD5211 Phase 2
0.6354 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6337 Remote Similarity NPD3168 Discontinued
0.633 Remote Similarity NPD6402 Approved
0.633 Remote Similarity NPD6675 Approved
0.633 Remote Similarity NPD5739 Approved
0.633 Remote Similarity NPD7128 Approved
0.6327 Remote Similarity NPD1694 Approved
0.6327 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6325 Remote Similarity NPD6059 Approved
0.6325 Remote Similarity NPD6054 Approved
0.6306 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6304 Remote Similarity NPD4190 Phase 3
0.6304 Remote Similarity NPD5275 Approved
0.6286 Remote Similarity NPD4755 Approved
0.6286 Remote Similarity NPD7902 Approved
0.6283 Remote Similarity NPD8297 Approved
0.6263 Remote Similarity NPD4519 Discontinued
0.6263 Remote Similarity NPD4623 Approved
0.625 Remote Similarity NPD4634 Approved
0.6239 Remote Similarity NPD5141 Approved
0.6224 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6218 Remote Similarity NPD6370 Approved
0.6216 Remote Similarity NPD6881 Approved
0.6216 Remote Similarity NPD6899 Approved
0.6216 Remote Similarity NPD7320 Approved
0.6214 Remote Similarity NPD5778 Approved
0.6214 Remote Similarity NPD5779 Approved
0.6211 Remote Similarity NPD4195 Approved
0.619 Remote Similarity NPD5220 Clinical (unspecified phase)
0.619 Remote Similarity NPD4697 Phase 3
0.619 Remote Similarity NPD5221 Approved
0.619 Remote Similarity NPD5222 Approved
0.6186 Remote Similarity NPD6319 Approved
0.6176 Remote Similarity NPD6698 Approved
0.6176 Remote Similarity NPD46 Approved
0.6176 Remote Similarity NPD7136 Phase 2
0.6176 Remote Similarity NPD7838 Discovery
0.6168 Remote Similarity NPD5286 Approved
0.6168 Remote Similarity NPD4700 Approved
0.6168 Remote Similarity NPD4696 Approved
0.6168 Remote Similarity NPD5285 Approved
0.6161 Remote Similarity NPD6373 Approved
0.6161 Remote Similarity NPD6372 Approved
0.6134 Remote Similarity NPD6015 Approved
0.6134 Remote Similarity NPD8517 Approved
0.6134 Remote Similarity NPD8516 Approved
0.6134 Remote Similarity NPD8513 Phase 3
0.6134 Remote Similarity NPD6016 Approved
0.6134 Remote Similarity NPD8515 Approved
0.6132 Remote Similarity NPD5173 Approved
0.6132 Remote Similarity NPD6084 Phase 2
0.6132 Remote Similarity NPD6083 Phase 2
0.6126 Remote Similarity NPD5697 Approved
0.6126 Remote Similarity NPD5701 Approved
0.6118 Remote Similarity NPD1145 Discontinued
0.6117 Remote Similarity NPD8035 Phase 2
0.6117 Remote Similarity NPD8034 Phase 2
0.6116 Remote Similarity NPD7492 Approved
0.6111 Remote Similarity NPD5223 Approved
0.6106 Remote Similarity NPD6883 Approved
0.6106 Remote Similarity NPD7102 Approved
0.6106 Remote Similarity NPD7290 Approved
0.6106 Remote Similarity NPD6371 Approved
0.61 Remote Similarity NPD7146 Approved
0.61 Remote Similarity NPD5330 Approved
0.61 Remote Similarity NPD6409 Approved
0.61 Remote Similarity NPD7334 Approved
0.61 Remote Similarity NPD7521 Approved
0.61 Remote Similarity NPD6684 Approved
0.6098 Remote Similarity NPD342 Phase 1
0.6087 Remote Similarity NPD4732 Discontinued
0.6083 Remote Similarity NPD5988 Approved
0.6078 Remote Similarity NPD4753 Phase 2
0.6075 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6075 Remote Similarity NPD5290 Discontinued
0.6071 Remote Similarity NPD6011 Approved
0.6068 Remote Similarity NPD6009 Approved
0.6066 Remote Similarity NPD6616 Approved
0.6061 Remote Similarity NPD3668 Phase 3
0.6055 Remote Similarity NPD5226 Approved
0.6055 Remote Similarity NPD5225 Approved
0.6055 Remote Similarity NPD5224 Approved
0.6055 Remote Similarity NPD4633 Approved
0.6053 Remote Similarity NPD6649 Approved
0.6053 Remote Similarity NPD6869 Approved
0.6053 Remote Similarity NPD6847 Approved
0.6053 Remote Similarity NPD6617 Approved
0.6053 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6053 Remote Similarity NPD8130 Phase 1
0.6053 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6053 Remote Similarity NPD6650 Approved
0.605 Remote Similarity NPD7741 Discontinued
0.6038 Remote Similarity NPD4792 Clinical (unspecified phase)
0.6036 Remote Similarity NPD6008 Approved
0.6033 Remote Similarity NPD6067 Discontinued
0.6033 Remote Similarity NPD7604 Phase 2
0.602 Remote Similarity NPD4223 Phase 3
0.602 Remote Similarity NPD4221 Approved
0.6018 Remote Similarity NPD6012 Approved
0.6018 Remote Similarity NPD6014 Approved
0.6018 Remote Similarity NPD6013 Approved
0.6016 Remote Similarity NPD8293 Discontinued
0.6016 Remote Similarity NPD7078 Approved
0.6 Remote Similarity NPD6882 Approved
0.6 Remote Similarity NPD4754 Approved
0.6 Remote Similarity NPD5175 Approved
0.6 Remote Similarity NPD5329 Approved
0.6 Remote Similarity NPD5174 Approved
0.6 Remote Similarity NPD1696 Phase 3

Structure

External Identifiers

PubChem CID   90676769
ChEMBL   CHEMBL3263385
ZINC  

Physicochemical Properties

Molecular Weight:  322.25
ALogP:  1.2741
MLogP:  3.33
XLogP:  4.425
# Rotatable Bonds:  9
Polar Surface Area:  49.69
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  23

Download Data

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Biological Activities  
Similar NPs/Drugs