Drug Information

Drug ID:  NPD2970
Drug Name:  Codeine Phosphate Hydrate
Molecular Formula:  C18H21NO3.H3O4P.H2O
Canonical SMILES:  OP(=O)(O)O.COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C.O
Standard InCHI:  InChI=1S/C18H21NO3.H3O4P.H2O/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-5(2,3)4;/h3-6,11-13,17,20H,7-9H2,1-2H3;(H3,1,2,3,4);1H2/t11-,12+,13-,17-,18-;;/m0../s1
Standard InCHIKey:  JPGKFBXFEQWCAI-CCLYOLAMSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2970

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 0.9554 NPC124657
High Similarity 0.9355 NPC180756
High Similarity 0.9355 NPC323443
High Similarity 0.9212 NPC305847
High Similarity 0.9157 NPC302449
High Similarity 0.8855 NPC329969
High Similarity 0.8704 NPC249274
High Similarity 0.8647 NPC115906
High Similarity 0.8605 NPC214629
High Similarity 0.8589 NPC205167
High Similarity 0.8588 NPC99179
High Similarity 0.8588 NPC126284
High Similarity 0.858 NPC148014
High Similarity 0.858 NPC65490
High Similarity 0.858 NPC40389
High Similarity 0.858 NPC78359
High Similarity 0.858 NPC315707
High Similarity 0.8554 NPC306555
High Similarity 0.8554 NPC158376
High Similarity 0.8554 NPC474931
High Similarity 0.8554 NPC145832
High Similarity 0.8554 NPC81218
High Similarity 0.8554 NPC117188
High Similarity 0.8554 NPC205421
High Similarity 0.8554 NPC12053
High Similarity 0.8545 NPC306843
High Similarity 0.8545 NPC78222
High Similarity 0.8545 NPC13504
High Similarity 0.8545 NPC96603
High Similarity 0.8545 NPC253043
High Similarity 0.8545 NPC477563
High Similarity 0.8545 NPC136508
High Similarity 0.8545 NPC196447
High Similarity 0.8545 NPC212794
High Similarity 0.8529 NPC294790
High Similarity 0.8529 NPC118633
High Similarity 0.8529 NPC148693
High Similarity 0.8519 NPC147091
Intermediate Similarity 0.8488 NPC248642
Intermediate Similarity 0.8485 NPC1229
Intermediate Similarity 0.8485 NPC324144
Intermediate Similarity 0.8476 NPC166014
Intermediate Similarity 0.8476 NPC27410
Intermediate Similarity 0.8476 NPC4304
Intermediate Similarity 0.8476 NPC18402
Intermediate Similarity 0.8466 NPC129603
Intermediate Similarity 0.8439 NPC156576
Intermediate Similarity 0.8421 NPC114364
Intermediate Similarity 0.8421 NPC320223
Intermediate Similarity 0.8412 NPC229166
Intermediate Similarity 0.8412 NPC128560
Intermediate Similarity 0.8412 NPC199465
Intermediate Similarity 0.8398 NPC67346
Intermediate Similarity 0.8354 NPC476572
Intermediate Similarity 0.8344 NPC325871
Intermediate Similarity 0.8344 NPC99659
Intermediate Similarity 0.8343 NPC118274
Intermediate Similarity 0.8343 NPC168753
Intermediate Similarity 0.8333 NPC298979
Intermediate Similarity 0.8333 NPC181653
Intermediate Similarity 0.8333 NPC150879
Intermediate Similarity 0.8333 NPC190332
Intermediate Similarity 0.8324 NPC66909
Intermediate Similarity 0.8323 NPC255607
Intermediate Similarity 0.8323 NPC225774
Intermediate Similarity 0.8323 NPC3375
Intermediate Similarity 0.8297 NPC140577
Intermediate Similarity 0.8297 NPC43069
Intermediate Similarity 0.8297 NPC97086
Intermediate Similarity 0.8294 NPC239775
Intermediate Similarity 0.8274 NPC24264
Intermediate Similarity 0.8274 NPC219341
Intermediate Similarity 0.8274 NPC476432
Intermediate Similarity 0.8272 NPC326316
Intermediate Similarity 0.8272 NPC81733
Intermediate Similarity 0.8263 NPC124433
Intermediate Similarity 0.8263 NPC320104
Intermediate Similarity 0.8263 NPC293871
Intermediate Similarity 0.8256 NPC237044
Intermediate Similarity 0.8246 NPC477020
Intermediate Similarity 0.8246 NPC192135
Intermediate Similarity 0.8246 NPC66341
Intermediate Similarity 0.8246 NPC2314
Intermediate Similarity 0.8242 NPC64576
Intermediate Similarity 0.8242 NPC201055
Intermediate Similarity 0.8242 NPC254045
Intermediate Similarity 0.8242 NPC151470
Intermediate Similarity 0.8239 NPC214116
Intermediate Similarity 0.8235 NPC477562
Intermediate Similarity 0.8235 NPC311991
Intermediate Similarity 0.8235 NPC26240
Intermediate Similarity 0.8235 NPC69712
Intermediate Similarity 0.8225 NPC247389
Intermediate Similarity 0.8225 NPC100566
Intermediate Similarity 0.8225 NPC252960
Intermediate Similarity 0.8214 NPC16805
Intermediate Similarity 0.8214 NPC167546
Intermediate Similarity 0.8214 NPC302527
Intermediate Similarity 0.821 NPC274026
Intermediate Similarity 0.8208 NPC474325
Intermediate Similarity 0.8202 NPC475754
Intermediate Similarity 0.8198 NPC187678
Intermediate Similarity 0.8198 NPC304675
Intermediate Similarity 0.8197 NPC232533
Intermediate Similarity 0.8193 NPC59028
Intermediate Similarity 0.8193 NPC92191
Intermediate Similarity 0.8187 NPC225597
Intermediate Similarity 0.8187 NPC477640
Intermediate Similarity 0.8187 NPC470739
Intermediate Similarity 0.8176 NPC58766
Intermediate Similarity 0.8176 NPC475686
Intermediate Similarity 0.8176 NPC266176
Intermediate Similarity 0.8176 NPC204908
Intermediate Similarity 0.8176 NPC82533
Intermediate Similarity 0.8176 NPC158148
Intermediate Similarity 0.8176 NPC290759
Intermediate Similarity 0.8176 NPC83198
Intermediate Similarity 0.8171 NPC116284
Intermediate Similarity 0.8171 NPC275132
Intermediate Similarity 0.8171 NPC476575
Intermediate Similarity 0.8171 NPC233718
Intermediate Similarity 0.8166 NPC35627
Intermediate Similarity 0.8166 NPC81247
Intermediate Similarity 0.8166 NPC476573
Intermediate Similarity 0.8161 NPC474745
Intermediate Similarity 0.8155 NPC218614
Intermediate Similarity 0.8155 NPC233650
Intermediate Similarity 0.8148 NPC477565
Intermediate Similarity 0.8148 NPC103379
Intermediate Similarity 0.8144 NPC477559
Intermediate Similarity 0.8144 NPC215829
Intermediate Similarity 0.8144 NPC160298
Intermediate Similarity 0.8144 NPC226428
Intermediate Similarity 0.8144 NPC266753
Intermediate Similarity 0.8144 NPC306902
Intermediate Similarity 0.8144 NPC97072
Intermediate Similarity 0.8144 NPC232924
Intermediate Similarity 0.8137 NPC191376
Intermediate Similarity 0.8137 NPC179825
Intermediate Similarity 0.8137 NPC321505
Intermediate Similarity 0.8137 NPC476151
Intermediate Similarity 0.8129 NPC474475
Intermediate Similarity 0.8125 NPC135772
Intermediate Similarity 0.8125 NPC185838
Intermediate Similarity 0.8121 NPC204828
Intermediate Similarity 0.8121 NPC249797
Intermediate Similarity 0.8121 NPC110416
Intermediate Similarity 0.8121 NPC295691
Intermediate Similarity 0.8121 NPC469817
Intermediate Similarity 0.8121 NPC193949
Intermediate Similarity 0.8121 NPC54379
Intermediate Similarity 0.8121 NPC39701
Intermediate Similarity 0.8121 NPC207757
Intermediate Similarity 0.8121 NPC172765
Intermediate Similarity 0.8121 NPC278799
Intermediate Similarity 0.8121 NPC127674
Intermediate Similarity 0.8121 NPC184026
Intermediate Similarity 0.8121 NPC189266
Intermediate Similarity 0.8121 NPC276588
Intermediate Similarity 0.8121 NPC2413
Intermediate Similarity 0.8121 NPC5238
Intermediate Similarity 0.8118 NPC210918
Intermediate Similarity 0.8118 NPC210140
Intermediate Similarity 0.8114 NPC298339
Intermediate Similarity 0.8114 NPC477561
Intermediate Similarity 0.8114 NPC312918
Intermediate Similarity 0.8114 NPC476574
Intermediate Similarity 0.8114 NPC155442
Intermediate Similarity 0.811 NPC133011
Intermediate Similarity 0.811 NPC82285
Intermediate Similarity 0.8107 NPC134858
Intermediate Similarity 0.8103 NPC15919
Intermediate Similarity 0.8098 NPC243483
Intermediate Similarity 0.8095 NPC60186
Intermediate Similarity 0.8092 NPC477558
Intermediate Similarity 0.8092 NPC49353
Intermediate Similarity 0.8086 NPC246587
Intermediate Similarity 0.8086 NPC135538
Intermediate Similarity 0.8086 NPC428
Intermediate Similarity 0.8086 NPC24233
Intermediate Similarity 0.8086 NPC476571
Intermediate Similarity 0.8086 NPC147390
Intermediate Similarity 0.8081 NPC476331
Intermediate Similarity 0.8059 NPC13916
Intermediate Similarity 0.8059 NPC264850
Intermediate Similarity 0.8057 NPC32154
Intermediate Similarity 0.8057 NPC244554
Intermediate Similarity 0.8057 NPC474507
Intermediate Similarity 0.8056 NPC478093
Intermediate Similarity 0.8046 NPC173416
Intermediate Similarity 0.8046 NPC476577
Intermediate Similarity 0.8046 NPC474470
Intermediate Similarity 0.8046 NPC241704
Intermediate Similarity 0.8046 NPC148709
Intermediate Similarity 0.8036 NPC475780
Intermediate Similarity 0.8035 NPC232386
Intermediate Similarity 0.8035 NPC152680
Intermediate Similarity 0.8035 NPC190783
Intermediate Similarity 0.8023 NPC475981
Intermediate Similarity 0.8023 NPC474746

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  299.15
ALogP  -0.3086
MLogP  3
XLogP  1.315
HDA  2
HBD  1
Rotatable Bonds  4
TPSA  41.93
RO5 Violation  0