Natural Product: NPC193785

Natural Product ID:  NPC193785
Common Name:   Maoyecrystal D
IUPAC Name:  
Synonyms:   Maoyecrystal D
Molecular Formula:   C20H28O7
Standard InCHIKey:  VXUVMWLQDKLAFV-YRJJVJJZSA-N
Standard InCHI:  InChI=1S/C20H28O7/c1-18(2)4-3-12-20(8-26-16(24)14(18)20)13-11(22)5-9-6-19(13,17(25)27-12)15(23)10(9)7-21/h9-14,16,21-22,24H,3-8H2,1-2H3/t9-,10-,11+,12+,13-,14-,16-,19+,20+/m1/s1
Canonical SMILES:  OC[C@@H]1[C@@H]2C[C@@H]([C@@H]3[C@](C1=O)(C2)C(=O)O[C@@H]1[C@]23CO[C@H]([C@@H]2C(CC1)(C)C)O)O
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
NPO1558 Ozothamnus obcordatus Species Asteraceae Eukaryota UNPD*
NPO20115 Melampodium argophyllum Species Asteraceae Eukaryota UNPD*
NPO19475 Isodon sculponeatus Species Lamiaceae Eukaryota UNPD*
NPO16021 Boletus bovinus Species Boletaceae Eukaryota UNPD*
NPO21482 Crotalaria laburnifolia Species Fabaceae Eukaryota UNPD*
NPO17508 Danae racemosa Species Asparagaceae Eukaryota UNPD*
NPO16409 Quercus pedunculata Species Fagaceae Eukaryota UNPD*
NPO8991 Carcinus maenas Species Carcinidae Eukaryota UNPD*
NPO19889 Cereus stellatus Species Sagartiidae Eukaryota UNPD*
NPO21139 Daphniphyllum calycinum Species Daphniphyllaceae Eukaryota UNPD*
NPO19768 Xylosalsola arbuscula Species Chenopodiaceae Eukaryota UNPD*
NPO20336 Arctotheca calendula Species Asteraceae Eukaryota UNPD*
NPO20543 Psydrax livida Species Rubiaceae Eukaryota UNPD*
NPO21614 Urceolaria scruposa Species Trichodinidae Eukaryota UNPD*
NPO19763 Meloidogyne incognita Species Meloidogynidae Eukaryota UNPD*
NPO20470 Elaeagnus orientalis Species Elaeagnaceae Eukaryota UNPD*
NPO17240 Crematogaster brevis Species Formicidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT111 Cell Line K562 Homo sapiens IC50 > 10000 nM 19697926
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 19697926
NPT65 Cell Line HepG2 Homo sapiens IC50 > 10000 nM 19697926

  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 NPC193785 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
0.9326 High Similarity NPC200580
0.9271 High Similarity NPC88469
0.8889 High Similarity NPC96333
0.8889 High Similarity NPC88833
0.871 High Similarity NPC475878
0.87 High Similarity NPC61071
0.8687 High Similarity NPC101842
0.8667 High Similarity NPC473350
0.8627 High Similarity NPC98069
0.8627 High Similarity NPC49730
0.8617 High Similarity NPC476189
0.86 High Similarity NPC164600
0.86 High Similarity NPC103172
0.8556 High Similarity NPC25802
0.8556 High Similarity NPC51135
0.8556 High Similarity NPC101138
0.8556 High Similarity NPC82492
0.8495 Intermediate Similarity NPC61688
0.8485 Intermediate Similarity NPC471254
0.8485 Intermediate Similarity NPC470172
0.8454 Intermediate Similarity NPC472273
0.8438 Intermediate Similarity NPC62407
0.8438 Intermediate Similarity NPC287354
0.8431 Intermediate Similarity NPC232133
0.8421 Intermediate Similarity NPC161035
0.8416 Intermediate Similarity NPC285927
0.84 Intermediate Similarity NPC471253
0.84 Intermediate Similarity NPC107385
0.84 Intermediate Similarity NPC473406
0.8352 Intermediate Similarity NPC473336
0.8352 Intermediate Similarity NPC471044
0.8352 Intermediate Similarity NPC477434
0.8351 Intermediate Similarity NPC475765
0.8351 Intermediate Similarity NPC475785
0.835 Intermediate Similarity NPC469983
0.8317 Intermediate Similarity NPC470167
0.8315 Intermediate Similarity NPC1882
0.8298 Intermediate Similarity NPC67653
0.8298 Intermediate Similarity NPC471459
0.8283 Intermediate Similarity NPC267921
0.8269 Intermediate Similarity NPC255655
0.8269 Intermediate Similarity NPC124053
0.8269 Intermediate Similarity NPC130302
0.8269 Intermediate Similarity NPC98633
0.8265 Intermediate Similarity NPC471241
0.8261 Intermediate Similarity NPC477205
0.8247 Intermediate Similarity NPC305808
0.8218 Intermediate Similarity NPC139347
0.82 Intermediate Similarity NPC178853
0.8191 Intermediate Similarity NPC226491
0.8191 Intermediate Similarity NPC477614
0.819 Intermediate Similarity NPC471251
0.819 Intermediate Similarity NPC473062
0.8173 Intermediate Similarity NPC471250
0.8163 Intermediate Similarity NPC116683
0.8144 Intermediate Similarity NPC470424
0.8137 Intermediate Similarity NPC244247
0.8131 Intermediate Similarity NPC79193
0.8125 Intermediate Similarity NPC474065
0.8119 Intermediate Similarity NPC213528
0.8119 Intermediate Similarity NPC244969
0.8105 Intermediate Similarity NPC477443
0.8105 Intermediate Similarity NPC477440
0.8077 Intermediate Similarity NPC469845
0.8077 Intermediate Similarity NPC469826
0.8058 Intermediate Similarity NPC215408
0.8043 Intermediate Similarity NPC15091
0.8039 Intermediate Similarity NPC96217
0.8039 Intermediate Similarity NPC34562
0.8037 Intermediate Similarity NPC285086
0.8021 Intermediate Similarity NPC77756
0.8021 Intermediate Similarity NPC477433
0.8021 Intermediate Similarity NPC477442
0.8021 Intermediate Similarity NPC477444
0.802 Intermediate Similarity NPC148279
0.802 Intermediate Similarity NPC39683
0.802 Intermediate Similarity NPC14634
0.802 Intermediate Similarity NPC236585
0.8019 Intermediate Similarity NPC329953
0.8019 Intermediate Similarity NPC469824
0.8 Intermediate Similarity NPC471221
0.8 Intermediate Similarity NPC469825
0.8 Intermediate Similarity NPC221993
0.8 Intermediate Similarity NPC90676
0.8 Intermediate Similarity NPC253995
0.8 Intermediate Similarity NPC474793
0.7982 Intermediate Similarity NPC179429
0.7981 Intermediate Similarity NPC469746
0.7981 Intermediate Similarity NPC203974
0.798 Intermediate Similarity NPC476728
0.7979 Intermediate Similarity NPC302111
0.7979 Intermediate Similarity NPC83242
0.7961 Intermediate Similarity NPC100078
0.7961 Intermediate Similarity NPC202793
0.7961 Intermediate Similarity NPC469827
0.7961 Intermediate Similarity NPC13149
0.7957 Intermediate Similarity NPC50438
0.7957 Intermediate Similarity NPC219535
0.7957 Intermediate Similarity NPC473299
0.7957 Intermediate Similarity NPC237938
0.7938 Intermediate Similarity NPC52756
0.7935 Intermediate Similarity NPC13494
0.7925 Intermediate Similarity NPC470622
0.7912 Intermediate Similarity NPC125366
0.7905 Intermediate Similarity NPC475319
0.7905 Intermediate Similarity NPC469733
0.7905 Intermediate Similarity NPC471094
0.7905 Intermediate Similarity NPC473410
0.7905 Intermediate Similarity NPC202898
0.7905 Intermediate Similarity NPC469729
0.7905 Intermediate Similarity NPC63841
0.7905 Intermediate Similarity NPC469984
0.7905 Intermediate Similarity NPC92890
0.79 Intermediate Similarity NPC253586
0.79 Intermediate Similarity NPC472145
0.7895 Intermediate Similarity NPC239938
0.7895 Intermediate Similarity NPC252714
0.7885 Intermediate Similarity NPC12823
0.7885 Intermediate Similarity NPC306776
0.7885 Intermediate Similarity NPC166079
0.787 Intermediate Similarity NPC132668
0.7857 Intermediate Similarity NPC472238
0.7857 Intermediate Similarity NPC472237
0.785 Intermediate Similarity NPC272242
0.7843 Intermediate Similarity NPC46848
0.7835 Intermediate Similarity NPC475211
0.7835 Intermediate Similarity NPC88337
0.783 Intermediate Similarity NPC228190
0.783 Intermediate Similarity NPC233433
0.783 Intermediate Similarity NPC273002
0.783 Intermediate Similarity NPC94086
0.783 Intermediate Similarity NPC469744
0.783 Intermediate Similarity NPC473817
0.783 Intermediate Similarity NPC236753
0.783 Intermediate Similarity NPC92297
0.783 Intermediate Similarity NPC220836
0.7826 Intermediate Similarity NPC58631
0.7826 Intermediate Similarity NPC475743
0.7822 Intermediate Similarity NPC471038
0.7822 Intermediate Similarity NPC26270
0.7822 Intermediate Similarity NPC472144
0.7812 Intermediate Similarity NPC473319
0.7812 Intermediate Similarity NPC131104
0.7812 Intermediate Similarity NPC236459
0.7812 Intermediate Similarity NPC3032
0.781 Intermediate Similarity NPC471474
0.781 Intermediate Similarity NPC186054
0.7802 Intermediate Similarity NPC474754
0.7802 Intermediate Similarity NPC320144
0.7802 Intermediate Similarity NPC201276
0.7802 Intermediate Similarity NPC80891
0.7789 Intermediate Similarity NPC248216
0.7789 Intermediate Similarity NPC80700
0.7789 Intermediate Similarity NPC120395
0.7778 Intermediate Similarity NPC309127
0.7778 Intermediate Similarity NPC477489
0.7778 Intermediate Similarity NPC247877
0.7767 Intermediate Similarity NPC309388
0.7767 Intermediate Similarity NPC275990
0.7767 Intermediate Similarity NPC475803
0.7767 Intermediate Similarity NPC80640
0.7767 Intermediate Similarity NPC124544
0.7766 Intermediate Similarity NPC319909
0.7757 Intermediate Similarity NPC474786
0.7757 Intermediate Similarity NPC471476
0.7757 Intermediate Similarity NPC320383
0.7757 Intermediate Similarity NPC137104
0.7757 Intermediate Similarity NPC85391
0.7757 Intermediate Similarity NPC42776
0.7757 Intermediate Similarity NPC471093
0.7757 Intermediate Similarity NPC473324
0.7745 Intermediate Similarity NPC20028
0.7745 Intermediate Similarity NPC80417
0.7745 Intermediate Similarity NPC41843
0.7745 Intermediate Similarity NPC108371
0.7742 Intermediate Similarity NPC61107
0.7742 Intermediate Similarity NPC208912
0.7742 Intermediate Similarity NPC2096
0.7742 Intermediate Similarity NPC289486
0.7732 Intermediate Similarity NPC56962
0.7732 Intermediate Similarity NPC24705
0.7727 Intermediate Similarity NPC88945
0.7727 Intermediate Similarity NPC229752
0.7727 Intermediate Similarity NPC475490
0.7723 Intermediate Similarity NPC74466
0.7723 Intermediate Similarity NPC266417
0.7717 Intermediate Similarity NPC477851
0.7717 Intermediate Similarity NPC134227
0.7714 Intermediate Similarity NPC307660
0.7714 Intermediate Similarity NPC56656
0.7714 Intermediate Similarity NPC130511
0.7708 Intermediate Similarity NPC470920
0.7708 Intermediate Similarity NPC263802
0.7706 Intermediate Similarity NPC102619
0.77 Intermediate Similarity NPC470232
0.77 Intermediate Similarity NPC215570
0.77 Intermediate Similarity NPC17336
0.7692 Intermediate Similarity NPC34046
0.7692 Intermediate Similarity NPC171426
0.7692 Intermediate Similarity NPC224802

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC193785 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
0.7961 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD6697 Approved
0.7692 Intermediate Similarity NPD6114 Approved
0.7692 Intermediate Similarity NPD6115 Approved
0.7692 Intermediate Similarity NPD6118 Approved
0.7582 Intermediate Similarity NPD6116 Phase 1
0.7556 Intermediate Similarity NPD3703 Phase 2
0.7473 Intermediate Similarity NPD6117 Approved
0.7333 Intermediate Similarity NPD1700 Approved
0.7253 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7227 Intermediate Similarity NPD8293 Discontinued
0.7179 Intermediate Similarity NPD6370 Approved
0.7174 Intermediate Similarity NPD3702 Approved
0.7167 Intermediate Similarity NPD7736 Approved
0.7158 Intermediate Similarity NPD6928 Phase 2
0.7091 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7492 Approved
0.7043 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD6059 Approved
0.7009 Intermediate Similarity NPD6054 Approved
0.7 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6616 Approved
0.699 Remote Similarity NPD8171 Discontinued
0.6967 Remote Similarity NPD7319 Approved
0.6949 Remote Similarity NPD6016 Approved
0.6949 Remote Similarity NPD6015 Approved
0.6942 Remote Similarity NPD7078 Approved
0.6909 Remote Similarity NPD6008 Approved
0.6907 Remote Similarity NPD1779 Approved
0.6907 Remote Similarity NPD1780 Approved
0.6893 Remote Similarity NPD8034 Phase 2
0.6893 Remote Similarity NPD8035 Phase 2
0.6891 Remote Similarity NPD5988 Approved
0.686 Remote Similarity NPD7507 Approved
0.6833 Remote Similarity NPD8328 Phase 3
0.6818 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6818 Remote Similarity NPD4057 Clinical (unspecified phase)
0.681 Remote Similarity NPD6940 Discontinued
0.6786 Remote Similarity NPD7320 Approved
0.6783 Remote Similarity NPD8133 Approved
0.6771 Remote Similarity NPD4802 Phase 2
0.6771 Remote Similarity NPD4238 Approved
0.6768 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6768 Remote Similarity NPD3669 Approved
0.6757 Remote Similarity NPD6675 Approved
0.6757 Remote Similarity NPD7128 Approved
0.6757 Remote Similarity NPD6402 Approved
0.6757 Remote Similarity NPD5739 Approved
0.6742 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6726 Remote Similarity NPD6373 Approved
0.6726 Remote Similarity NPD6372 Approved
0.6723 Remote Similarity NPD6319 Approved
0.6696 Remote Similarity NPD6412 Phase 2
0.6696 Remote Similarity NPD5697 Approved
0.6696 Remote Similarity NPD5701 Approved
0.6696 Remote Similarity NPD6882 Approved
0.6667 Remote Similarity NPD6399 Phase 3
0.6667 Remote Similarity NPD6081 Approved
0.6667 Remote Similarity NPD4224 Phase 2
0.6667 Remote Similarity NPD5777 Approved
0.6637 Remote Similarity NPD6881 Approved
0.6637 Remote Similarity NPD6899 Approved
0.6634 Remote Similarity NPD7520 Clinical (unspecified phase)
0.663 Remote Similarity NPD3698 Phase 2
0.661 Remote Similarity NPD6009 Approved
0.6609 Remote Similarity NPD6650 Approved
0.6609 Remote Similarity NPD6649 Approved
0.6579 Remote Similarity NPD6013 Approved
0.6579 Remote Similarity NPD6014 Approved
0.6579 Remote Similarity NPD6012 Approved
0.6559 Remote Similarity NPD4245 Approved
0.6559 Remote Similarity NPD4244 Approved
0.6559 Remote Similarity NPD4789 Approved
0.6522 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6522 Remote Similarity NPD5360 Phase 3
0.6522 Remote Similarity NPD7290 Approved
0.6522 Remote Similarity NPD6883 Approved
0.6522 Remote Similarity NPD7102 Approved
0.6496 Remote Similarity NPD4632 Approved
0.6491 Remote Similarity NPD6011 Approved
0.648 Remote Similarity NPD6033 Approved
0.6466 Remote Similarity NPD8130 Phase 1
0.6466 Remote Similarity NPD6847 Approved
0.6466 Remote Similarity NPD6869 Approved
0.6466 Remote Similarity NPD6617 Approved
0.6429 Remote Similarity NPD3671 Phase 1
0.6422 Remote Similarity NPD4755 Approved
0.641 Remote Similarity NPD8297 Approved
0.6393 Remote Similarity NPD6921 Approved
0.6381 Remote Similarity NPD5328 Approved
0.6379 Remote Similarity NPD4634 Approved
0.6364 Remote Similarity NPD7638 Approved
0.6348 Remote Similarity NPD6686 Approved
0.6344 Remote Similarity NPD229 Approved
0.633 Remote Similarity NPD4697 Phase 3
0.6325 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6316 Remote Similarity NPD4758 Discontinued
0.6306 Remote Similarity NPD5286 Approved
0.6306 Remote Similarity NPD7639 Approved
0.6306 Remote Similarity NPD5285 Approved
0.6306 Remote Similarity NPD8418 Phase 2
0.6306 Remote Similarity NPD4700 Approved
0.6306 Remote Similarity NPD7640 Approved
0.6306 Remote Similarity NPD4696 Approved
0.629 Remote Similarity NPD6067 Discontinued
0.6281 Remote Similarity NPD7328 Approved
0.6281 Remote Similarity NPD7327 Approved
0.6277 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6262 Remote Similarity NPD6079 Approved
0.626 Remote Similarity NPD6291 Clinical (unspecified phase)
0.626 Remote Similarity NPD5983 Phase 2
0.625 Remote Similarity NPD3618 Phase 1
0.625 Remote Similarity NPD6274 Approved
0.6239 Remote Similarity NPD7991 Discontinued
0.623 Remote Similarity NPD7516 Approved
0.6198 Remote Similarity NPD7115 Discovery
0.6195 Remote Similarity NPD8139 Approved
0.6195 Remote Similarity NPD8138 Approved
0.6195 Remote Similarity NPD5211 Phase 2
0.6195 Remote Similarity NPD8085 Approved
0.6195 Remote Similarity NPD7632 Discontinued
0.6195 Remote Similarity NPD5226 Approved
0.6195 Remote Similarity NPD8086 Approved
0.6195 Remote Similarity NPD8084 Approved
0.6195 Remote Similarity NPD8082 Approved
0.6195 Remote Similarity NPD5225 Approved
0.6195 Remote Similarity NPD5224 Approved
0.6195 Remote Similarity NPD8083 Approved
0.6195 Remote Similarity NPD4633 Approved
0.6186 Remote Similarity NPD1811 Approved
0.6186 Remote Similarity NPD1810 Approved
0.6182 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6182 Remote Similarity NPD5222 Approved
0.6182 Remote Similarity NPD5221 Approved
0.6179 Remote Similarity NPD8294 Approved
0.6179 Remote Similarity NPD8377 Approved
0.616 Remote Similarity NPD7604 Phase 2
0.6154 Remote Similarity NPD4061 Clinical (unspecified phase)
0.614 Remote Similarity NPD8276 Approved
0.614 Remote Similarity NPD5175 Approved
0.614 Remote Similarity NPD8275 Approved
0.614 Remote Similarity NPD5174 Approved
0.6129 Remote Similarity NPD8379 Approved
0.6129 Remote Similarity NPD8378 Approved
0.6129 Remote Similarity NPD8516 Approved
0.6129 Remote Similarity NPD8033 Approved
0.6129 Remote Similarity NPD8517 Approved
0.6129 Remote Similarity NPD8515 Approved
0.6129 Remote Similarity NPD8513 Phase 3
0.6129 Remote Similarity NPD8296 Approved
0.6129 Remote Similarity NPD8380 Approved
0.6129 Remote Similarity NPD8335 Approved
0.6126 Remote Similarity NPD5173 Approved
0.6126 Remote Similarity NPD7902 Approved
0.6126 Remote Similarity NPD6084 Phase 2
0.6126 Remote Similarity NPD6083 Phase 2
0.6111 Remote Similarity NPD6411 Approved
0.6106 Remote Similarity NPD5223 Approved
0.6102 Remote Similarity NPD5955 Clinical (unspecified phase)
0.61 Remote Similarity NPD5364 Discontinued
0.6098 Remote Similarity NPD7101 Approved
0.6098 Remote Similarity NPD7100 Approved
0.6091 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6087 Remote Similarity NPD5141 Approved
0.6087 Remote Similarity NPD8081 Approved
0.6071 Remote Similarity NPD5696 Approved
0.6066 Remote Similarity NPD6317 Approved
0.6063 Remote Similarity NPD6336 Discontinued
0.6058 Remote Similarity NPD4786 Approved
0.6055 Remote Similarity NPD4202 Approved
0.6034 Remote Similarity NPD4768 Approved
0.6034 Remote Similarity NPD4767 Approved
0.6034 Remote Similarity NPD8393 Approved
0.6022 Remote Similarity NPD9496 Clinical (unspecified phase)
0.6019 Remote Similarity NPD3667 Approved
0.6016 Remote Similarity NPD6313 Approved
0.6016 Remote Similarity NPD6314 Approved
0.6016 Remote Similarity NPD6335 Approved
0.6 Remote Similarity NPD6908 Approved
0.6 Remote Similarity NPD6909 Approved
0.6 Remote Similarity NPD4754 Approved
0.6 Remote Similarity NPD7748 Approved
0.5984 Remote Similarity NPD6868 Approved
0.5963 Remote Similarity NPD7515 Phase 2
0.5946 Remote Similarity NPD5695 Phase 3
0.5943 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5932 Remote Similarity NPD4729 Approved
0.5932 Remote Similarity NPD4730 Approved
0.5932 Remote Similarity NPD5128 Approved
0.5929 Remote Similarity NPD4225 Approved
0.5926 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5926 Remote Similarity NPD6334 Approved
0.5926 Remote Similarity NPD6101 Approved
0.5926 Remote Similarity NPD6333 Approved
0.5878 Remote Similarity NPD5956 Approved
0.5876 Remote Similarity NPD2254 Approved

Structure

External Identifiers

PubChem CID   46883375
ChEMBL   CHEMBL1079530
ZINC  

Physicochemical Properties

Molecular Weight:  380.18
ALogP:  -1.9255
MLogP:  2.89
XLogP:  0.599
# Rotatable Bonds:  6
Polar Surface Area:  113.29
# H-Bond Aceptor:  7
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  27

Download Data

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