Drug Information

Drug ID:  NPD2194
Drug Name:  Dezocine
Molecular Formula:  C16H23NO
Canonical SMILES:  Oc1ccc2c(c1)[C@@]1(C)CCCCC[C@@H](C2)[C@@H]1N
Standard InCHI:  InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1
Standard InCHIKey:  VTMVHDZWSFQSQP-VBNZEHGJSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2194

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 0.8837 NPC149379
High Similarity 0.8672 NPC8305
High Similarity 0.8672 NPC66177
High Similarity 0.8672 NPC268763
High Similarity 0.8538 NPC126859
High Similarity 0.8538 NPC259665
High Similarity 0.8538 NPC89769
Intermediate Similarity 0.8462 NPC124802
Intermediate Similarity 0.7983 NPC68055
Intermediate Similarity 0.7903 NPC322753
Intermediate Similarity 0.784 NPC250323
Intermediate Similarity 0.7823 NPC141782
Intermediate Similarity 0.7823 NPC13482
Intermediate Similarity 0.7805 NPC11554
Intermediate Similarity 0.776 NPC260323
Intermediate Similarity 0.776 NPC176279
Intermediate Similarity 0.7731 NPC125732
Intermediate Similarity 0.7724 NPC151477
Intermediate Similarity 0.7717 NPC195922
Intermediate Similarity 0.7698 NPC146422
Intermediate Similarity 0.7681 NPC325568
Intermediate Similarity 0.7667 NPC211885
Intermediate Similarity 0.766 NPC219233
Intermediate Similarity 0.766 NPC211468
Intermediate Similarity 0.766 NPC170170
Intermediate Similarity 0.7606 NPC323123
Intermediate Similarity 0.76 NPC58865
Intermediate Similarity 0.7578 NPC268160
Intermediate Similarity 0.7561 NPC117115
Intermediate Similarity 0.7557 NPC283760
Intermediate Similarity 0.7538 NPC477136
Intermediate Similarity 0.7519 NPC192948
Intermediate Similarity 0.7519 NPC35797
Intermediate Similarity 0.7519 NPC147179
Intermediate Similarity 0.75 NPC715
Intermediate Similarity 0.75 NPC21594
Intermediate Similarity 0.75 NPC225464
Intermediate Similarity 0.7482 NPC33338
Intermediate Similarity 0.7482 NPC300020
Intermediate Similarity 0.7482 NPC302171
Intermediate Similarity 0.7481 NPC48342
Intermediate Similarity 0.7481 NPC164649
Intermediate Similarity 0.7481 NPC85276
Intermediate Similarity 0.748 NPC470770
Intermediate Similarity 0.748 NPC77772
Intermediate Similarity 0.748 NPC266937
Intermediate Similarity 0.748 NPC95716
Intermediate Similarity 0.7462 NPC474358
Intermediate Similarity 0.7462 NPC474387
Intermediate Similarity 0.7462 NPC219112
Intermediate Similarity 0.7462 NPC137496
Intermediate Similarity 0.7462 NPC308311
Intermediate Similarity 0.7462 NPC477137
Intermediate Similarity 0.7462 NPC471668
Intermediate Similarity 0.7462 NPC38893
Intermediate Similarity 0.7462 NPC154511
Intermediate Similarity 0.7462 NPC247858
Intermediate Similarity 0.7462 NPC308828
Intermediate Similarity 0.7462 NPC257540
Intermediate Similarity 0.744 NPC320439
Intermediate Similarity 0.7438 NPC92730
Intermediate Similarity 0.7424 NPC42657
Intermediate Similarity 0.7422 NPC62867
Intermediate Similarity 0.7422 NPC177962
Intermediate Similarity 0.7422 NPC46940
Intermediate Similarity 0.7422 NPC228425
Intermediate Similarity 0.7405 NPC16030
Intermediate Similarity 0.7405 NPC172219
Intermediate Similarity 0.7405 NPC304510
Intermediate Similarity 0.7402 NPC474149
Intermediate Similarity 0.7395 NPC27323
Intermediate Similarity 0.7395 NPC316301
Intermediate Similarity 0.7377 NPC29601
Intermediate Similarity 0.7377 NPC225506
Intermediate Similarity 0.7368 NPC99734
Intermediate Similarity 0.7368 NPC190501
Intermediate Similarity 0.7368 NPC318552
Intermediate Similarity 0.7355 NPC32674
Intermediate Similarity 0.7348 NPC469609
Intermediate Similarity 0.7348 NPC471671
Intermediate Similarity 0.7344 NPC21890
Intermediate Similarity 0.7344 NPC151537
Intermediate Similarity 0.7333 NPC222146
Intermediate Similarity 0.7328 NPC92
Intermediate Similarity 0.7328 NPC469663
Intermediate Similarity 0.7328 NPC141001
Intermediate Similarity 0.7323 NPC290566
Intermediate Similarity 0.7323 NPC145638
Intermediate Similarity 0.7317 NPC252105
Intermediate Similarity 0.7313 NPC241001
Intermediate Similarity 0.7313 NPC259703
Intermediate Similarity 0.7313 NPC328504
Intermediate Similarity 0.7313 NPC32322
Intermediate Similarity 0.7311 NPC55903
Intermediate Similarity 0.7308 NPC471534
Intermediate Similarity 0.7308 NPC118202
Intermediate Similarity 0.7295 NPC33675
Intermediate Similarity 0.7295 NPC252821
Intermediate Similarity 0.7295 NPC299762
Intermediate Similarity 0.7295 NPC122005
Intermediate Similarity 0.7293 NPC79933
Intermediate Similarity 0.7293 NPC258366
Intermediate Similarity 0.7293 NPC469644
Intermediate Similarity 0.7293 NPC473974
Intermediate Similarity 0.7293 NPC31296
Intermediate Similarity 0.7293 NPC93071
Intermediate Similarity 0.7293 NPC126002
Intermediate Similarity 0.7273 NPC473388
Intermediate Similarity 0.7273 NPC82664
Intermediate Similarity 0.7273 NPC132271
Intermediate Similarity 0.7273 NPC292730
Intermediate Similarity 0.7273 NPC216520
Intermediate Similarity 0.7273 NPC137096
Intermediate Similarity 0.7267 NPC60538
Intermediate Similarity 0.7267 NPC207824
Intermediate Similarity 0.7267 NPC329969
Intermediate Similarity 0.7266 NPC132720
Intermediate Similarity 0.7259 NPC142198
Intermediate Similarity 0.7259 NPC77569
Intermediate Similarity 0.7252 NPC469719
Intermediate Similarity 0.7252 NPC317254
Intermediate Similarity 0.725 NPC76938
Intermediate Similarity 0.7244 NPC24101
Intermediate Similarity 0.7244 NPC96224
Intermediate Similarity 0.7239 NPC118522
Intermediate Similarity 0.7239 NPC260832
Intermediate Similarity 0.7239 NPC68339
Intermediate Similarity 0.7239 NPC115627
Intermediate Similarity 0.7239 NPC169207
Intermediate Similarity 0.7239 NPC135467
Intermediate Similarity 0.7236 NPC289381
Intermediate Similarity 0.7236 NPC155847
Intermediate Similarity 0.7227 NPC304541
Intermediate Similarity 0.7227 NPC155908
Intermediate Similarity 0.7222 NPC477814
Intermediate Similarity 0.7222 NPC231705
Intermediate Similarity 0.7222 NPC271274
Intermediate Similarity 0.7218 NPC154030
Intermediate Similarity 0.7215 NPC476573
Intermediate Similarity 0.7215 NPC35627
Intermediate Similarity 0.7215 NPC81247
Intermediate Similarity 0.7213 NPC79241
Intermediate Similarity 0.7213 NPC77492
Intermediate Similarity 0.7213 NPC6597
Intermediate Similarity 0.7206 NPC121168
Intermediate Similarity 0.72 NPC238696
Intermediate Similarity 0.72 NPC254965
Intermediate Similarity 0.72 NPC327811
Intermediate Similarity 0.7197 NPC188867
Intermediate Similarity 0.7197 NPC281686
Intermediate Similarity 0.7197 NPC106551
Intermediate Similarity 0.7197 NPC82963
Intermediate Similarity 0.7194 NPC145888
Intermediate Similarity 0.7194 NPC16031
Intermediate Similarity 0.7194 NPC161593
Intermediate Similarity 0.7192 NPC470925
Intermediate Similarity 0.719 NPC274678
Intermediate Similarity 0.719 NPC26244
Intermediate Similarity 0.719 NPC32714
Intermediate Similarity 0.7188 NPC258056
Intermediate Similarity 0.7188 NPC314187
Intermediate Similarity 0.7188 NPC254833
Intermediate Similarity 0.7188 NPC228343
Intermediate Similarity 0.7176 NPC107240
Intermediate Similarity 0.7176 NPC142599
Intermediate Similarity 0.7174 NPC318965
Intermediate Similarity 0.7171 NPC76213
Intermediate Similarity 0.7171 NPC277669
Intermediate Similarity 0.7167 NPC94139
Intermediate Similarity 0.7167 NPC162314
Intermediate Similarity 0.7167 NPC306884
Intermediate Similarity 0.7167 NPC3358
Intermediate Similarity 0.7167 NPC147284
Intermediate Similarity 0.7167 NPC210497
Intermediate Similarity 0.7165 NPC142297
Intermediate Similarity 0.7164 NPC151197
Intermediate Similarity 0.7164 NPC268572
Intermediate Similarity 0.7163 NPC326966
Intermediate Similarity 0.7161 NPC79328
Intermediate Similarity 0.7154 NPC471179
Intermediate Similarity 0.7153 NPC140359
Intermediate Similarity 0.7153 NPC13020
Intermediate Similarity 0.7153 NPC307020
Intermediate Similarity 0.7143 NPC192
Intermediate Similarity 0.7143 NPC47284
Intermediate Similarity 0.7143 NPC283468
Intermediate Similarity 0.7143 NPC138942
Intermediate Similarity 0.7143 NPC311737
Intermediate Similarity 0.7143 NPC38458
Intermediate Similarity 0.7132 NPC249340
Intermediate Similarity 0.7132 NPC162935
Intermediate Similarity 0.7132 NPC154696
Intermediate Similarity 0.7132 NPC296683
Intermediate Similarity 0.7132 NPC253627
Intermediate Similarity 0.7131 NPC312132
Intermediate Similarity 0.7131 NPC202986
Intermediate Similarity 0.7131 NPC259512
Intermediate Similarity 0.7121 NPC10286
Intermediate Similarity 0.7121 NPC213
Intermediate Similarity 0.712 NPC168829

Drug Structure

External Identifiers

TTD   DAP001100
DrugBank   DB01209
ChEMBL   CHEMBL1685
IUPHAR/BPS  
PharmaGKB   PA164746059
KEGG Drug   D00838
PubChem CID  
ChEBI   4474
CAS Number  53648-55-8

Drug Properties

Molecular Weight  245.18
ALogP  -1.5193
MLogP  3
XLogP  3.903
HDA  1
HBD  2
Rotatable Bonds  3
TPSA  46.25
RO5 Violation  0