Drug Information

Drug ID:  NPD3703
Drug Name:  HF-0220
Molecular Formula:  C19H30O3
Canonical SMILES:  O[C@H]1CC[C@]2([C@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)O)C
Standard InCHI:  InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12+,13+,14+,15+,17+,18+,19+/m1/s1
Standard InCHIKey:  VFPMCLQMAUVEHD-UCPSWNCLSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3703

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 1.0 NPC159789
High Similarity 0.9306 NPC472486
High Similarity 0.9306 NPC472487
High Similarity 0.9296 NPC133922
High Similarity 0.9286 NPC89310
High Similarity 0.9275 NPC6120
High Similarity 0.9275 NPC327728
High Similarity 0.9275 NPC131892
High Similarity 0.9275 NPC213178
High Similarity 0.9178 NPC221420
High Similarity 0.9167 NPC21220
High Similarity 0.9167 NPC125767
High Similarity 0.9155 NPC232112
High Similarity 0.9067 NPC477851
High Similarity 0.9041 NPC5767
High Similarity 0.9041 NPC475742
High Similarity 0.9014 NPC156277
High Similarity 0.9014 NPC151018
High Similarity 0.9014 NPC320549
High Similarity 0.9014 NPC58057
High Similarity 0.8933 NPC320144
High Similarity 0.8904 NPC97534
High Similarity 0.8904 NPC174964
High Similarity 0.8904 NPC195155
High Similarity 0.8904 NPC273366
High Similarity 0.8846 NPC50438
High Similarity 0.8831 NPC268040
High Similarity 0.88 NPC34046
High Similarity 0.88 NPC80089
High Similarity 0.88 NPC185465
High Similarity 0.88 NPC224802
High Similarity 0.88 NPC171426
High Similarity 0.88 NPC324700
High Similarity 0.8767 NPC254340
High Similarity 0.8732 NPC324607
High Similarity 0.8732 NPC321732
High Similarity 0.8714 NPC472984
High Similarity 0.8701 NPC469745
High Similarity 0.8684 NPC201276
High Similarity 0.8684 NPC80891
High Similarity 0.8667 NPC23884
High Similarity 0.8667 NPC475031
High Similarity 0.8649 NPC212733
High Similarity 0.8625 NPC476727
High Similarity 0.8625 NPC80700
High Similarity 0.8625 NPC476726
High Similarity 0.8571 NPC470609
High Similarity 0.8533 NPC4209
High Similarity 0.8519 NPC263802
High Similarity 0.8514 NPC280026
High Similarity 0.8514 NPC167702
Intermediate Similarity 0.8481 NPC327451
Intermediate Similarity 0.8421 NPC207010
Intermediate Similarity 0.8421 NPC317913
Intermediate Similarity 0.8421 NPC298168
Intermediate Similarity 0.8421 NPC143133
Intermediate Similarity 0.8395 NPC302111
Intermediate Similarity 0.8395 NPC472272
Intermediate Similarity 0.8378 NPC282905
Intermediate Similarity 0.8378 NPC68426
Intermediate Similarity 0.8378 NPC310766
Intermediate Similarity 0.8378 NPC477229
Intermediate Similarity 0.8375 NPC473336
Intermediate Similarity 0.8375 NPC471044
Intermediate Similarity 0.8354 NPC121121
Intermediate Similarity 0.8354 NPC289486
Intermediate Similarity 0.8354 NPC317066
Intermediate Similarity 0.8354 NPC30583
Intermediate Similarity 0.8354 NPC61107
Intermediate Similarity 0.8313 NPC61688
Intermediate Similarity 0.8293 NPC153604
Intermediate Similarity 0.8267 NPC159325
Intermediate Similarity 0.8267 NPC168511
Intermediate Similarity 0.8243 NPC473267
Intermediate Similarity 0.8243 NPC126642
Intermediate Similarity 0.8228 NPC476071
Intermediate Similarity 0.8214 NPC476296
Intermediate Similarity 0.8158 NPC472311
Intermediate Similarity 0.8158 NPC267753
Intermediate Similarity 0.8148 NPC219535
Intermediate Similarity 0.8148 NPC237938
Intermediate Similarity 0.8148 NPC146683
Intermediate Similarity 0.8133 NPC81759
Intermediate Similarity 0.8118 NPC52756
Intermediate Similarity 0.8108 NPC476731
Intermediate Similarity 0.8101 NPC164999
Intermediate Similarity 0.8095 NPC56962
Intermediate Similarity 0.8095 NPC24705
Intermediate Similarity 0.8082 NPC474954
Intermediate Similarity 0.8072 NPC259009
Intermediate Similarity 0.8072 NPC4643
Intermediate Similarity 0.8072 NPC202937
Intermediate Similarity 0.8072 NPC57469
Intermediate Similarity 0.8052 NPC108840
Intermediate Similarity 0.8049 NPC471034
Intermediate Similarity 0.8049 NPC473350
Intermediate Similarity 0.8049 NPC190704
Intermediate Similarity 0.8026 NPC472854
Intermediate Similarity 0.8026 NPC130011
Intermediate Similarity 0.8025 NPC472743
Intermediate Similarity 0.8025 NPC475726
Intermediate Similarity 0.8025 NPC118800
Intermediate Similarity 0.8023 NPC476189
Intermediate Similarity 0.8023 NPC244356
Intermediate Similarity 0.8023 NPC224060
Intermediate Similarity 0.8 NPC58631
Intermediate Similarity 0.8 NPC100313
Intermediate Similarity 0.8 NPC77756
Intermediate Similarity 0.8 NPC80401
Intermediate Similarity 0.8 NPC12933
Intermediate Similarity 0.7976 NPC477614
Intermediate Similarity 0.7976 NPC226491
Intermediate Similarity 0.7976 NPC193360
Intermediate Similarity 0.7975 NPC245029
Intermediate Similarity 0.7975 NPC472310
Intermediate Similarity 0.7975 NPC31302
Intermediate Similarity 0.7973 NPC476734
Intermediate Similarity 0.7973 NPC319671
Intermediate Similarity 0.7973 NPC254037
Intermediate Similarity 0.7973 NPC469941
Intermediate Similarity 0.7973 NPC66407
Intermediate Similarity 0.7973 NPC477820
Intermediate Similarity 0.7973 NPC129829
Intermediate Similarity 0.7973 NPC196197
Intermediate Similarity 0.7973 NPC252032
Intermediate Similarity 0.7952 NPC248216
Intermediate Similarity 0.7952 NPC83242
Intermediate Similarity 0.7949 NPC472746
Intermediate Similarity 0.7949 NPC264602
Intermediate Similarity 0.7927 NPC474996
Intermediate Similarity 0.7927 NPC477434
Intermediate Similarity 0.7927 NPC474482
Intermediate Similarity 0.7927 NPC475745
Intermediate Similarity 0.7907 NPC198242
Intermediate Similarity 0.7907 NPC476168
Intermediate Similarity 0.7907 NPC211403
Intermediate Similarity 0.7901 NPC328007
Intermediate Similarity 0.7887 NPC114891
Intermediate Similarity 0.7882 NPC200580
Intermediate Similarity 0.7882 NPC471459
Intermediate Similarity 0.7882 NPC67653
Intermediate Similarity 0.7875 NPC261616
Intermediate Similarity 0.7867 NPC232925
Intermediate Similarity 0.7867 NPC477850
Intermediate Similarity 0.7867 NPC251201
Intermediate Similarity 0.7867 NPC477929
Intermediate Similarity 0.7867 NPC63588
Intermediate Similarity 0.7867 NPC192192
Intermediate Similarity 0.7857 NPC470920
Intermediate Similarity 0.7857 NPC472497
Intermediate Similarity 0.7857 NPC174619
Intermediate Similarity 0.7857 NPC472495
Intermediate Similarity 0.7848 NPC478084
Intermediate Similarity 0.7848 NPC475725
Intermediate Similarity 0.7848 NPC329117
Intermediate Similarity 0.7841 NPC62407
Intermediate Similarity 0.7841 NPC305808
Intermediate Similarity 0.7841 NPC287354
Intermediate Similarity 0.7838 NPC473225
Intermediate Similarity 0.7838 NPC180777
Intermediate Similarity 0.7838 NPC260319
Intermediate Similarity 0.7838 NPC2568
Intermediate Similarity 0.7838 NPC103647
Intermediate Similarity 0.7831 NPC76518
Intermediate Similarity 0.7831 NPC292553
Intermediate Similarity 0.7821 NPC471046
Intermediate Similarity 0.7816 NPC181594
Intermediate Similarity 0.7816 NPC161035
Intermediate Similarity 0.7816 NPC144739
Intermediate Similarity 0.7808 NPC44122
Intermediate Similarity 0.7808 NPC142712
Intermediate Similarity 0.7805 NPC471036
Intermediate Similarity 0.7805 NPC291320
Intermediate Similarity 0.7805 NPC268578
Intermediate Similarity 0.7805 NPC292458
Intermediate Similarity 0.7805 NPC217559
Intermediate Similarity 0.7791 NPC475056
Intermediate Similarity 0.7791 NPC46758
Intermediate Similarity 0.7778 NPC159654
Intermediate Similarity 0.7778 NPC50658
Intermediate Similarity 0.7778 NPC254123
Intermediate Similarity 0.7778 NPC281540
Intermediate Similarity 0.7778 NPC167995
Intermediate Similarity 0.7778 NPC118937
Intermediate Similarity 0.7765 NPC236459
Intermediate Similarity 0.7765 NPC131104
Intermediate Similarity 0.7765 NPC328539
Intermediate Similarity 0.7765 NPC473319
Intermediate Similarity 0.7765 NPC90676
Intermediate Similarity 0.7765 NPC3032
Intermediate Similarity 0.7763 NPC252182
Intermediate Similarity 0.7763 NPC187471
Intermediate Similarity 0.7763 NPC1340
Intermediate Similarity 0.7763 NPC470071
Intermediate Similarity 0.7763 NPC127094
Intermediate Similarity 0.7753 NPC476728
Intermediate Similarity 0.7746 NPC218585
Intermediate Similarity 0.7746 NPC148174
Intermediate Similarity 0.7746 NPC71460
Intermediate Similarity 0.7738 NPC472738

Drug Structure

External Identifiers

TTD   DIB003651
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  306.22
ALogP  -0.5276
MLogP  3.22
XLogP  2.426
HDA  3
HBD  2
Rotatable Bonds  4
TPSA  57.53
RO5 Violation  0