Drug Information

Drug ID:  NPD2376
Drug Name:  Asenapine Maleate
Molecular Formula:  C17H16ClNO.C4H4O4
Canonical SMILES:  Clc1ccc2c(c1)C1CN(CC1c1c(O2)cccc1)C.OC(=O)/C=CC(=O)O
Standard InCHI:  InChI=1S/C17H16ClNO.C4H4O4/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;5-3(6)1-2-4(7)8/h2-8,14-15H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
Standard InCHIKey:  GMDCDXMAFMEDAG-BTJKTKAUSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2376

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 0.7518 NPC255253
Intermediate Similarity 0.75 NPC14287
Intermediate Similarity 0.7357 NPC321133
Intermediate Similarity 0.7324 NPC151237
Intermediate Similarity 0.726 NPC283079
Intermediate Similarity 0.72 NPC11147
Intermediate Similarity 0.7114 NPC118419
Intermediate Similarity 0.7075 NPC172403
Intermediate Similarity 0.7067 NPC66643
Intermediate Similarity 0.7055 NPC129603
Intermediate Similarity 0.7039 NPC167944
Intermediate Similarity 0.7039 NPC231884
Intermediate Similarity 0.7039 NPC42793
Remote Similarity 0.6963 NPC326801
Remote Similarity 0.6962 NPC473934
Remote Similarity 0.6951 NPC78359
Remote Similarity 0.6951 NPC65490
Remote Similarity 0.6951 NPC40389
Remote Similarity 0.6951 NPC315707
Remote Similarity 0.6951 NPC148014
Remote Similarity 0.6918 NPC328267
Remote Similarity 0.6912 NPC186469
Remote Similarity 0.6903 NPC314682
Remote Similarity 0.6899 NPC145304
Remote Similarity 0.689 NPC323443
Remote Similarity 0.689 NPC180756
Remote Similarity 0.6883 NPC193528
Remote Similarity 0.6875 NPC7467
Remote Similarity 0.6875 NPC263835
Remote Similarity 0.6867 NPC18402
Remote Similarity 0.6859 NPC328750
Remote Similarity 0.6859 NPC188163
Remote Similarity 0.6859 NPC474915
Remote Similarity 0.6859 NPC213206
Remote Similarity 0.6849 NPC27198
Remote Similarity 0.6849 NPC471315
Remote Similarity 0.6849 NPC471314
Remote Similarity 0.6842 NPC325568
Remote Similarity 0.6813 NPC16107
Remote Similarity 0.6813 NPC476151
Remote Similarity 0.6813 NPC51957
Remote Similarity 0.6813 NPC210437
Remote Similarity 0.6813 NPC476144
Remote Similarity 0.6813 NPC106295
Remote Similarity 0.6788 NPC146288
Remote Similarity 0.6788 NPC476443
Remote Similarity 0.6788 NPC133817
Remote Similarity 0.677 NPC475959
Remote Similarity 0.6755 NPC160193
Remote Similarity 0.6752 NPC470925
Remote Similarity 0.6752 NPC323204
Remote Similarity 0.6738 NPC26524
Remote Similarity 0.6735 NPC150026
Remote Similarity 0.6728 NPC477565
Remote Similarity 0.6728 NPC219162
Remote Similarity 0.6728 NPC211296
Remote Similarity 0.6728 NPC103379
Remote Similarity 0.6727 NPC216459
Remote Similarity 0.6727 NPC41178
Remote Similarity 0.6727 NPC138487
Remote Similarity 0.671 NPC106606
Remote Similarity 0.6692 NPC95755
Remote Similarity 0.669 NPC43275
Remote Similarity 0.6687 NPC185838
Remote Similarity 0.6686 NPC124433
Remote Similarity 0.6686 NPC293871
Remote Similarity 0.6667 NPC318591
Remote Similarity 0.6667 NPC476567
Remote Similarity 0.6667 NPC474200
Remote Similarity 0.6667 NPC475557
Remote Similarity 0.6667 NPC128019
Remote Similarity 0.6667 NPC136860
Remote Similarity 0.6667 NPC284842
Remote Similarity 0.6667 NPC231163
Remote Similarity 0.6667 NPC218323
Remote Similarity 0.6648 NPC264938
Remote Similarity 0.6646 NPC326316
Remote Similarity 0.6646 NPC81733
Remote Similarity 0.6645 NPC246991
Remote Similarity 0.6644 NPC294156
Remote Similarity 0.6644 NPC256015
Remote Similarity 0.6642 NPC475269
Remote Similarity 0.6628 NPC204908
Remote Similarity 0.6628 NPC83198
Remote Similarity 0.6627 NPC93593
Remote Similarity 0.6627 NPC244112
Remote Similarity 0.6623 NPC273984
Remote Similarity 0.6622 NPC298486
Remote Similarity 0.6618 NPC12870
Remote Similarity 0.6618 NPC24327
Remote Similarity 0.6608 NPC124657
Remote Similarity 0.6605 NPC179825
Remote Similarity 0.6605 NPC90844
Remote Similarity 0.6605 NPC321505
Remote Similarity 0.6605 NPC95075
Remote Similarity 0.6605 NPC191376
Remote Similarity 0.6605 NPC253883
Remote Similarity 0.6603 NPC7018
Remote Similarity 0.66 NPC81641
Remote Similarity 0.6596 NPC21890
Remote Similarity 0.6587 NPC234392
Remote Similarity 0.6587 NPC25084
Remote Similarity 0.6587 NPC31311
Remote Similarity 0.6587 NPC247639
Remote Similarity 0.6584 NPC130926
Remote Similarity 0.6582 NPC212850
Remote Similarity 0.6582 NPC83289
Remote Similarity 0.6582 NPC189724
Remote Similarity 0.6577 NPC217277
Remote Similarity 0.6568 NPC232924
Remote Similarity 0.6568 NPC477559
Remote Similarity 0.6568 NPC306902
Remote Similarity 0.6568 NPC266753
Remote Similarity 0.6568 NPC160298
Remote Similarity 0.6564 NPC476571
Remote Similarity 0.6564 NPC135538
Remote Similarity 0.6564 NPC24233
Remote Similarity 0.6564 NPC428
Remote Similarity 0.6564 NPC130941
Remote Similarity 0.6564 NPC246587
Remote Similarity 0.6564 NPC147390
Remote Similarity 0.6558 NPC193334
Remote Similarity 0.6558 NPC11173
Remote Similarity 0.6556 NPC301713
Remote Similarity 0.6556 NPC8058
Remote Similarity 0.6554 NPC211992
Remote Similarity 0.655 NPC208280
Remote Similarity 0.6549 NPC280760
Remote Similarity 0.6544 NPC300166
Remote Similarity 0.6538 NPC475828
Remote Similarity 0.6531 NPC289330
Remote Similarity 0.6531 NPC471308
Remote Similarity 0.6531 NPC17388
Remote Similarity 0.6531 NPC160120
Remote Similarity 0.6531 NPC53596
Remote Similarity 0.6527 NPC5238
Remote Similarity 0.6527 NPC204828
Remote Similarity 0.6527 NPC249797
Remote Similarity 0.6527 NPC39701
Remote Similarity 0.6527 NPC276588
Remote Similarity 0.6527 NPC54379
Remote Similarity 0.6527 NPC295691
Remote Similarity 0.6527 NPC110416
Remote Similarity 0.6527 NPC2413
Remote Similarity 0.6527 NPC189266
Remote Similarity 0.6527 NPC278799
Remote Similarity 0.6527 NPC207757
Remote Similarity 0.6527 NPC193949
Remote Similarity 0.6527 NPC184026
Remote Similarity 0.6527 NPC127674
Remote Similarity 0.6527 NPC172765
Remote Similarity 0.6527 NPC469817
Remote Similarity 0.6522 NPC42383
Remote Similarity 0.6519 NPC210086
Remote Similarity 0.6516 NPC139335
Remote Similarity 0.6514 NPC152680
Remote Similarity 0.6514 NPC190783
Remote Similarity 0.6514 NPC232386
Remote Similarity 0.6513 NPC98745
Remote Similarity 0.651 NPC188997
Remote Similarity 0.6506 NPC210148
Remote Similarity 0.6506 NPC233029
Remote Similarity 0.6503 NPC35344
Remote Similarity 0.6503 NPC141003
Remote Similarity 0.65 NPC97811
Remote Similarity 0.65 NPC201959
Remote Similarity 0.649 NPC136112
Remote Similarity 0.649 NPC141739
Remote Similarity 0.6486 NPC212559
Remote Similarity 0.6467 NPC2295
Remote Similarity 0.6467 NPC477564
Remote Similarity 0.6467 NPC261992
Remote Similarity 0.6467 NPC211218
Remote Similarity 0.6463 NPC51341
Remote Similarity 0.6463 NPC256369
Remote Similarity 0.6453 NPC238530
Remote Similarity 0.6453 NPC232514
Remote Similarity 0.6453 NPC276944
Remote Similarity 0.6453 NPC225774
Remote Similarity 0.645 NPC476572
Remote Similarity 0.6444 NPC470161
Remote Similarity 0.6443 NPC475839
Remote Similarity 0.6438 NPC25648
Remote Similarity 0.6438 NPC252901
Remote Similarity 0.6433 NPC254700
Remote Similarity 0.6429 NPC123323
Remote Similarity 0.6429 NPC325871
Remote Similarity 0.6429 NPC78733
Remote Similarity 0.6429 NPC99659
Remote Similarity 0.6424 NPC207824
Remote Similarity 0.6424 NPC92541
Remote Similarity 0.6424 NPC60538
Remote Similarity 0.6424 NPC95733
Remote Similarity 0.6424 NPC62101
Remote Similarity 0.642 NPC247298
Remote Similarity 0.6416 NPC24264
Remote Similarity 0.6416 NPC476432
Remote Similarity 0.6416 NPC219341
Remote Similarity 0.6414 NPC283169
Remote Similarity 0.6412 NPC477080

Drug Structure

External Identifiers

TTD  
DrugBank   DB06216
ChEMBL   CHEMBL3544974
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D02995
PubChem CID  
ChEBI   71253
CAS Number  65576-45-6

Drug Properties

Molecular Weight  285.09
ALogP  0.1167
MLogP  3
XLogP  4.266
HDA  1
HBD  0
Rotatable Bonds  2
TPSA  12.47
RO5 Violation  0