Drug Information

Drug ID:  NPD654
Drug Name:  Sorbinil
Molecular Formula:  C11H9FN2O3
Canonical SMILES:  OC1=NC(=N[C@@]21CCOc1c2cc(F)cc1)O
Standard InCHI:  InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
Standard InCHIKey:  LXANPKRCLVQAOG-NSHDSACASA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD654

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
Intermediate Similarity 0.7464 NPC471314
Intermediate Similarity 0.7464 NPC471315
Intermediate Similarity 0.7372 NPC17388
Intermediate Similarity 0.7372 NPC471308
Intermediate Similarity 0.7372 NPC289330
Intermediate Similarity 0.7372 NPC53596
Intermediate Similarity 0.7372 NPC160120
Intermediate Similarity 0.7246 NPC263835
Intermediate Similarity 0.7226 NPC5932
Intermediate Similarity 0.7226 NPC219383
Intermediate Similarity 0.7197 NPC315257
Intermediate Similarity 0.7192 NPC169766
Intermediate Similarity 0.7174 NPC43275
Intermediate Similarity 0.7087 NPC95755
Intermediate Similarity 0.7075 NPC105541
Intermediate Similarity 0.7063 NPC29477
Intermediate Similarity 0.702 NPC212850
Intermediate Similarity 0.702 NPC83289
Intermediate Similarity 0.702 NPC189724
Intermediate Similarity 0.7007 NPC470392
Intermediate Similarity 0.7 NPC321133
Remote Similarity 0.6993 NPC62101
Remote Similarity 0.6993 NPC95733
Remote Similarity 0.6978 NPC283616
Remote Similarity 0.697 NPC326801
Remote Similarity 0.6964 NPC316161
Remote Similarity 0.6947 NPC108875
Remote Similarity 0.6947 NPC38079
Remote Similarity 0.6923 NPC211218
Remote Similarity 0.6918 NPC471321
Remote Similarity 0.6918 NPC471306
Remote Similarity 0.6917 NPC194034
Remote Similarity 0.6894 NPC470393
Remote Similarity 0.6892 NPC97870
Remote Similarity 0.6892 NPC471953
Remote Similarity 0.6892 NPC307123
Remote Similarity 0.6892 NPC247018
Remote Similarity 0.6861 NPC26524
Remote Similarity 0.6842 NPC36434
Remote Similarity 0.6839 NPC247298
Remote Similarity 0.6835 NPC258992
Remote Similarity 0.6831 NPC473875
Remote Similarity 0.6828 NPC136112
Remote Similarity 0.6828 NPC141739
Remote Similarity 0.6821 NPC166667
Remote Similarity 0.6812 NPC161696
Remote Similarity 0.6809 NPC32152
Remote Similarity 0.6809 NPC256369
Remote Similarity 0.6809 NPC51341
Remote Similarity 0.68 NPC218530
Remote Similarity 0.6797 NPC298821
Remote Similarity 0.6797 NPC477837
Remote Similarity 0.6797 NPC477838
Remote Similarity 0.6792 NPC274026
Remote Similarity 0.6791 NPC186469
Remote Similarity 0.6783 NPC193364
Remote Similarity 0.6781 NPC262573
Remote Similarity 0.6781 NPC471215
Remote Similarity 0.6779 NPC274732
Remote Similarity 0.6779 NPC93882
Remote Similarity 0.6779 NPC130595
Remote Similarity 0.6776 NPC471316
Remote Similarity 0.6769 NPC100870
Remote Similarity 0.6767 NPC8302
Remote Similarity 0.6767 NPC475269
Remote Similarity 0.6763 NPC301321
Remote Similarity 0.6761 NPC474131
Remote Similarity 0.6761 NPC232295
Remote Similarity 0.6761 NPC258979
Remote Similarity 0.6761 NPC8283
Remote Similarity 0.6761 NPC93398
Remote Similarity 0.6755 NPC237227
Remote Similarity 0.6753 NPC123761
Remote Similarity 0.6752 NPC245974
Remote Similarity 0.6736 NPC188997
Remote Similarity 0.6736 NPC150026
Remote Similarity 0.6733 NPC285078
Remote Similarity 0.6733 NPC6854
Remote Similarity 0.6733 NPC313737
Remote Similarity 0.6715 NPC166837
Remote Similarity 0.6715 NPC275627
Remote Similarity 0.6714 NPC290470
Remote Similarity 0.6714 NPC69539
Remote Similarity 0.6714 NPC154256
Remote Similarity 0.6713 NPC318357
Remote Similarity 0.6713 NPC96423
Remote Similarity 0.6713 NPC475529
Remote Similarity 0.6712 NPC81641
Remote Similarity 0.6709 NPC277857
Remote Similarity 0.6709 NPC115144
Remote Similarity 0.6708 NPC82285
Remote Similarity 0.6708 NPC133011
Remote Similarity 0.6708 NPC275027
Remote Similarity 0.6707 NPC92191
Remote Similarity 0.6707 NPC67080
Remote Similarity 0.6707 NPC22014
Remote Similarity 0.6707 NPC59028
Remote Similarity 0.6691 NPC470837
Remote Similarity 0.6691 NPC118202
Remote Similarity 0.669 NPC328267
Remote Similarity 0.669 NPC471449
Remote Similarity 0.669 NPC261992
Remote Similarity 0.6689 NPC47283
Remote Similarity 0.6689 NPC39064
Remote Similarity 0.6688 NPC130926
Remote Similarity 0.6688 NPC313414
Remote Similarity 0.6687 NPC47672
Remote Similarity 0.6667 NPC51633
Remote Similarity 0.6667 NPC283049
Remote Similarity 0.6667 NPC238176
Remote Similarity 0.6667 NPC187993
Remote Similarity 0.6667 NPC474920
Remote Similarity 0.6667 NPC233320
Remote Similarity 0.6667 NPC54972
Remote Similarity 0.6667 NPC26879
Remote Similarity 0.6667 NPC50315
Remote Similarity 0.6667 NPC323948
Remote Similarity 0.6667 NPC230479
Remote Similarity 0.6646 NPC132771
Remote Similarity 0.6646 NPC306366
Remote Similarity 0.6646 NPC52475
Remote Similarity 0.6645 NPC264956
Remote Similarity 0.6643 NPC473718
Remote Similarity 0.6643 NPC41801
Remote Similarity 0.6627 NPC71205
Remote Similarity 0.6625 NPC258222
Remote Similarity 0.6624 NPC161155
Remote Similarity 0.6624 NPC97004
Remote Similarity 0.6624 NPC136951
Remote Similarity 0.6621 NPC204535
Remote Similarity 0.6621 NPC46586
Remote Similarity 0.6621 NPC100099
Remote Similarity 0.6621 NPC36016
Remote Similarity 0.662 NPC74821
Remote Similarity 0.6619 NPC35344
Remote Similarity 0.6619 NPC141003
Remote Similarity 0.6618 NPC97811
Remote Similarity 0.6618 NPC146530
Remote Similarity 0.6618 NPC153690
Remote Similarity 0.6618 NPC241549
Remote Similarity 0.6617 NPC192596
Remote Similarity 0.6605 NPC18614
Remote Similarity 0.6604 NPC476151
Remote Similarity 0.66 NPC255550
Remote Similarity 0.66 NPC114102
Remote Similarity 0.66 NPC308885
Remote Similarity 0.6599 NPC167571
Remote Similarity 0.6599 NPC278552
Remote Similarity 0.6599 NPC207179
Remote Similarity 0.6599 NPC320242
Remote Similarity 0.6597 NPC45663
Remote Similarity 0.6596 NPC82963
Remote Similarity 0.6594 NPC266932
Remote Similarity 0.6593 NPC113457
Remote Similarity 0.6587 NPC127362
Remote Similarity 0.6582 NPC97282
Remote Similarity 0.6577 NPC53986
Remote Similarity 0.6577 NPC38664
Remote Similarity 0.6575 NPC76465
Remote Similarity 0.6575 NPC474130
Remote Similarity 0.6575 NPC38761
Remote Similarity 0.6575 NPC315632
Remote Similarity 0.6573 NPC295259
Remote Similarity 0.6569 NPC474272
Remote Similarity 0.6569 NPC149545
Remote Similarity 0.6564 NPC233926
Remote Similarity 0.6564 NPC212699
Remote Similarity 0.6564 NPC10730
Remote Similarity 0.6564 NPC10875
Remote Similarity 0.6564 NPC207675
Remote Similarity 0.6561 NPC63628
Remote Similarity 0.6561 NPC178466
Remote Similarity 0.6558 NPC318591
Remote Similarity 0.6558 NPC254610
Remote Similarity 0.6558 NPC231163
Remote Similarity 0.6556 NPC476166
Remote Similarity 0.6556 NPC300875
Remote Similarity 0.6556 NPC129784
Remote Similarity 0.6556 NPC118114
Remote Similarity 0.6556 NPC268917
Remote Similarity 0.6556 NPC206224
Remote Similarity 0.6556 NPC280653
Remote Similarity 0.6556 NPC196765
Remote Similarity 0.6556 NPC236014
Remote Similarity 0.6556 NPC150011
Remote Similarity 0.6556 NPC228369
Remote Similarity 0.6556 NPC129106
Remote Similarity 0.6556 NPC162801
Remote Similarity 0.6556 NPC17343
Remote Similarity 0.6556 NPC164574
Remote Similarity 0.6556 NPC12875
Remote Similarity 0.6556 NPC207892
Remote Similarity 0.6554 NPC301713
Remote Similarity 0.6552 NPC190454
Remote Similarity 0.6552 NPC97432
Remote Similarity 0.6552 NPC168707
Remote Similarity 0.6552 NPC48623
Remote Similarity 0.6552 NPC226712
Remote Similarity 0.6549 NPC38458
Remote Similarity 0.6549 NPC142042

Drug Structure

External Identifiers

TTD   DCL000270; DCL000613
DrugBank   DB02712
ChEMBL   CHEMBL266497
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   337359
ChEBI   102029
CAS Number  68367-52-2

Drug Properties

Molecular Weight  236.06
ALogP  -0.5267
MLogP  2.01
XLogP  0.976
HDA  4
HBD  2
Rotatable Bonds  3
TPSA  74.41
RO5 Violation  0