Drug Information

Drug ID:  NPD27
Drug Name:  Morphine Sulfate Hydrate
Molecular Formula:  2C17H19NO3.H2O4S.5H2O
Canonical SMILES:  OS(=O)(=O)O.O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O.O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O.O.O.O.O.O
Standard InCHI:  InChI=1S/2C17H19NO3.H2O4S.5H2O/c2*1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-5(2,3)4;;;;;/h2*2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4);5*1H2/t2*10-,11+,13-,16-,17-;;;;;;/m00....../s1
Standard InCHIKey:  GRVOTVYEFDAHCL-RTSZDRIGSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD27

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 0.9618 NPC124657
High Similarity 0.9273 NPC305847
High Similarity 0.9217 NPC302449
High Similarity 0.9172 NPC323443
High Similarity 0.9172 NPC180756
High Similarity 0.8916 NPC329969
High Similarity 0.8765 NPC205167
High Similarity 0.8765 NPC249274
High Similarity 0.8696 NPC147091
High Similarity 0.8659 NPC324144
High Similarity 0.865 NPC166014
High Similarity 0.865 NPC18402
High Similarity 0.865 NPC27410
High Similarity 0.8647 NPC99179
High Similarity 0.8614 NPC158376
High Similarity 0.8614 NPC12053
High Similarity 0.8614 NPC81218
High Similarity 0.8614 NPC306555
High Similarity 0.8614 NPC145832
High Similarity 0.8614 NPC117188
High Similarity 0.8614 NPC205421
High Similarity 0.8614 NPC474931
High Similarity 0.8606 NPC306843
High Similarity 0.8606 NPC253043
High Similarity 0.8606 NPC477563
High Similarity 0.8606 NPC13504
High Similarity 0.8606 NPC136508
High Similarity 0.8606 NPC212794
High Similarity 0.8606 NPC78222
High Similarity 0.8606 NPC96603
High Similarity 0.8606 NPC196447
High Similarity 0.8545 NPC1229
Intermediate Similarity 0.8494 NPC255607
Intermediate Similarity 0.8494 NPC3375
Intermediate Similarity 0.8488 NPC115906
Intermediate Similarity 0.848 NPC320223
Intermediate Similarity 0.848 NPC114364
Intermediate Similarity 0.8471 NPC229166
Intermediate Similarity 0.8471 NPC128560
Intermediate Similarity 0.8471 NPC199465
Intermediate Similarity 0.8453 NPC97086
Intermediate Similarity 0.8448 NPC214629
Intermediate Similarity 0.843 NPC126284
Intermediate Similarity 0.8415 NPC78359
Intermediate Similarity 0.8415 NPC148014
Intermediate Similarity 0.8415 NPC40389
Intermediate Similarity 0.8415 NPC65490
Intermediate Similarity 0.8415 NPC315707
Intermediate Similarity 0.8402 NPC118274
Intermediate Similarity 0.8402 NPC168753
Intermediate Similarity 0.8393 NPC298979
Intermediate Similarity 0.8372 NPC148693
Intermediate Similarity 0.8372 NPC118633
Intermediate Similarity 0.8372 NPC294790
Intermediate Similarity 0.8353 NPC239775
Intermediate Similarity 0.8352 NPC232533
Intermediate Similarity 0.8333 NPC81247
Intermediate Similarity 0.8333 NPC476573
Intermediate Similarity 0.8333 NPC35627
Intermediate Similarity 0.8333 NPC248642
Intermediate Similarity 0.8323 NPC477565
Intermediate Similarity 0.8323 NPC103379
Intermediate Similarity 0.8313 NPC321505
Intermediate Similarity 0.8313 NPC226428
Intermediate Similarity 0.8313 NPC4304
Intermediate Similarity 0.8313 NPC191376
Intermediate Similarity 0.8313 NPC179825
Intermediate Similarity 0.8304 NPC477020
Intermediate Similarity 0.8304 NPC66341
Intermediate Similarity 0.8304 NPC192135
Intermediate Similarity 0.8303 NPC129603
Intermediate Similarity 0.8297 NPC64576
Intermediate Similarity 0.8297 NPC254045
Intermediate Similarity 0.8297 NPC151470
Intermediate Similarity 0.8297 NPC201055
Intermediate Similarity 0.8294 NPC26240
Intermediate Similarity 0.8294 NPC69712
Intermediate Similarity 0.8294 NPC477562
Intermediate Similarity 0.8293 NPC5238
Intermediate Similarity 0.8293 NPC2413
Intermediate Similarity 0.8293 NPC127674
Intermediate Similarity 0.8293 NPC39701
Intermediate Similarity 0.8293 NPC204828
Intermediate Similarity 0.8293 NPC54379
Intermediate Similarity 0.8293 NPC189266
Intermediate Similarity 0.8293 NPC207757
Intermediate Similarity 0.8293 NPC184026
Intermediate Similarity 0.8293 NPC193949
Intermediate Similarity 0.8293 NPC469817
Intermediate Similarity 0.8293 NPC276588
Intermediate Similarity 0.8293 NPC295691
Intermediate Similarity 0.8293 NPC249797
Intermediate Similarity 0.8293 NPC278799
Intermediate Similarity 0.8293 NPC110416
Intermediate Similarity 0.8293 NPC172765
Intermediate Similarity 0.8286 NPC156576
Intermediate Similarity 0.8284 NPC210140
Intermediate Similarity 0.8282 NPC133011
Intermediate Similarity 0.8282 NPC82285
Intermediate Similarity 0.8276 NPC298339
Intermediate Similarity 0.8261 NPC135538
Intermediate Similarity 0.8261 NPC24233
Intermediate Similarity 0.8261 NPC147390
Intermediate Similarity 0.8261 NPC476571
Intermediate Similarity 0.8261 NPC246587
Intermediate Similarity 0.8261 NPC428
Intermediate Similarity 0.8251 NPC67346
Intermediate Similarity 0.8251 NPC243483
Intermediate Similarity 0.8246 NPC476331
Intermediate Similarity 0.8235 NPC83198
Intermediate Similarity 0.8235 NPC204908
Intermediate Similarity 0.8229 NPC116284
Intermediate Similarity 0.8221 NPC326316
Intermediate Similarity 0.8221 NPC81733
Intermediate Similarity 0.8199 NPC476151
Intermediate Similarity 0.8193 NPC476572
Intermediate Similarity 0.8187 NPC185838
Intermediate Similarity 0.8182 NPC99659
Intermediate Similarity 0.8182 NPC135772
Intermediate Similarity 0.8182 NPC325871
Intermediate Similarity 0.8177 NPC66909
Intermediate Similarity 0.8176 NPC190332
Intermediate Similarity 0.8176 NPC150879
Intermediate Similarity 0.8176 NPC181653
Intermediate Similarity 0.8171 NPC476574
Intermediate Similarity 0.8171 NPC312918
Intermediate Similarity 0.8171 NPC477561
Intermediate Similarity 0.8171 NPC155442
Intermediate Similarity 0.8166 NPC134858
Intermediate Similarity 0.8166 NPC276944
Intermediate Similarity 0.8166 NPC225774
Intermediate Similarity 0.8166 NPC238530
Intermediate Similarity 0.8166 NPC232514
Intermediate Similarity 0.816 NPC220858
Intermediate Similarity 0.816 NPC88249
Intermediate Similarity 0.816 NPC192768
Intermediate Similarity 0.816 NPC97221
Intermediate Similarity 0.816 NPC274026
Intermediate Similarity 0.816 NPC151895
Intermediate Similarity 0.8155 NPC60186
Intermediate Similarity 0.8152 NPC43069
Intermediate Similarity 0.8152 NPC140577
Intermediate Similarity 0.8129 NPC470324
Intermediate Similarity 0.8118 NPC13916
Intermediate Similarity 0.8118 NPC219341
Intermediate Similarity 0.8118 NPC476432
Intermediate Similarity 0.8118 NPC264850
Intermediate Similarity 0.8118 NPC24264
Intermediate Similarity 0.8114 NPC32154
Intermediate Similarity 0.8114 NPC474507
Intermediate Similarity 0.8111 NPC478093
Intermediate Similarity 0.8107 NPC124433
Intermediate Similarity 0.8107 NPC293871
Intermediate Similarity 0.8107 NPC233650
Intermediate Similarity 0.8107 NPC320104
Intermediate Similarity 0.8103 NPC173416
Intermediate Similarity 0.8103 NPC148709
Intermediate Similarity 0.8103 NPC237044
Intermediate Similarity 0.8103 NPC476577
Intermediate Similarity 0.8095 NPC97072
Intermediate Similarity 0.8095 NPC477559
Intermediate Similarity 0.8095 NPC215829
Intermediate Similarity 0.8095 NPC306902
Intermediate Similarity 0.8095 NPC266753
Intermediate Similarity 0.8095 NPC160298
Intermediate Similarity 0.8095 NPC232924
Intermediate Similarity 0.8092 NPC232386
Intermediate Similarity 0.8092 NPC152680
Intermediate Similarity 0.8092 NPC190783
Intermediate Similarity 0.8092 NPC2314
Intermediate Similarity 0.809 NPC214116
Intermediate Similarity 0.8081 NPC311991
Intermediate Similarity 0.807 NPC252960
Intermediate Similarity 0.807 NPC100566
Intermediate Similarity 0.807 NPC247389
Intermediate Similarity 0.8066 NPC30182
Intermediate Similarity 0.8066 NPC473589
Intermediate Similarity 0.8066 NPC478092
Intermediate Similarity 0.8066 NPC478091
Intermediate Similarity 0.8059 NPC167546
Intermediate Similarity 0.8059 NPC16805
Intermediate Similarity 0.8059 NPC24465
Intermediate Similarity 0.8059 NPC302527
Intermediate Similarity 0.8057 NPC474325
Intermediate Similarity 0.8056 NPC475754
Intermediate Similarity 0.8046 NPC187678
Intermediate Similarity 0.8046 NPC304675
Intermediate Similarity 0.8046 NPC477558
Intermediate Similarity 0.8036 NPC111485
Intermediate Similarity 0.8036 NPC59028
Intermediate Similarity 0.8036 NPC92191
Intermediate Similarity 0.8035 NPC477640
Intermediate Similarity 0.8035 NPC470739
Intermediate Similarity 0.8035 NPC225597
Intermediate Similarity 0.8024 NPC186063
Intermediate Similarity 0.8023 NPC158148
Intermediate Similarity 0.8023 NPC266176
Intermediate Similarity 0.8023 NPC475686
Intermediate Similarity 0.8023 NPC476575
Intermediate Similarity 0.8023 NPC233718

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  285.14
ALogP  -0.7171
MLogP  2.89
XLogP  0.796
HDA  2
HBD  2
Rotatable Bonds  3
TPSA  52.93
RO5 Violation  0