Drug Information

Drug ID:  NPD2488
Drug Name:  Hydromorphone Hydrochloride
Molecular Formula:  C17H19NO3.ClH
Canonical SMILES:  O=C1CC[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O.Cl
Standard InCHI:  InChI=1S/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2,4,10-11,16,19H,3,5-8H2,1H3;1H/t10-,11+,16-,17-;/m0./s1
Standard InCHIKey:  XHILEZUETWRSHC-NRGUFEMZSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2488

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 0.9529 NPC115906
High Similarity 0.9278 NPC201055
High Similarity 0.9278 NPC254045
High Similarity 0.9278 NPC151470
High Similarity 0.9278 NPC64576
High Similarity 0.9253 NPC214629
High Similarity 0.9162 NPC66909
High Similarity 0.908 NPC298339
High Similarity 0.9016 NPC97086
High Similarity 0.8913 NPC67346
High Similarity 0.8913 NPC232533
High Similarity 0.8811 NPC140577
High Similarity 0.8811 NPC243483
High Similarity 0.8811 NPC43069
High Similarity 0.8721 NPC124657
High Similarity 0.8626 NPC196231
High Similarity 0.8596 NPC475780
High Similarity 0.8587 NPC174783
High Similarity 0.8571 NPC126211
High Similarity 0.8526 NPC157958
Intermediate Similarity 0.8444 NPC305847
Intermediate Similarity 0.8441 NPC279665
Intermediate Similarity 0.8413 NPC244191
Intermediate Similarity 0.8398 NPC302449
Intermediate Similarity 0.836 NPC311781
Intermediate Similarity 0.8343 NPC3375
Intermediate Similarity 0.8343 NPC255607
Intermediate Similarity 0.8314 NPC323443
Intermediate Similarity 0.8314 NPC180756
Intermediate Similarity 0.8298 NPC293624
Intermediate Similarity 0.8222 NPC329969
Intermediate Similarity 0.8171 NPC226428
Intermediate Similarity 0.8079 NPC324144
Intermediate Similarity 0.8068 NPC27410
Intermediate Similarity 0.8068 NPC166014
Intermediate Similarity 0.8065 NPC162694
Intermediate Similarity 0.8045 NPC145832
Intermediate Similarity 0.8045 NPC158376
Intermediate Similarity 0.8045 NPC306555
Intermediate Similarity 0.8045 NPC474931
Intermediate Similarity 0.8045 NPC81218
Intermediate Similarity 0.8045 NPC12053
Intermediate Similarity 0.8045 NPC117188
Intermediate Similarity 0.8045 NPC205421
Intermediate Similarity 0.8034 NPC13504
Intermediate Similarity 0.8034 NPC136508
Intermediate Similarity 0.8034 NPC253043
Intermediate Similarity 0.8034 NPC212794
Intermediate Similarity 0.8034 NPC196447
Intermediate Similarity 0.8034 NPC78222
Intermediate Similarity 0.8034 NPC477563
Intermediate Similarity 0.8034 NPC96603
Intermediate Similarity 0.8034 NPC306843
Intermediate Similarity 0.7978 NPC1229
Intermediate Similarity 0.7935 NPC320223
Intermediate Similarity 0.7935 NPC114364
Intermediate Similarity 0.7927 NPC474427
Intermediate Similarity 0.7923 NPC229166
Intermediate Similarity 0.7923 NPC199465
Intermediate Similarity 0.7923 NPC128560
Intermediate Similarity 0.7892 NPC99179
Intermediate Similarity 0.7865 NPC205167
Intermediate Similarity 0.7865 NPC475713
Intermediate Similarity 0.7865 NPC474432
Intermediate Similarity 0.7865 NPC249274
Intermediate Similarity 0.7857 NPC118274
Intermediate Similarity 0.7857 NPC168753
Intermediate Similarity 0.7845 NPC298979
Intermediate Similarity 0.7824 NPC17677
Intermediate Similarity 0.7817 NPC476500
Intermediate Similarity 0.7814 NPC239775
Intermediate Similarity 0.7807 NPC116284
Intermediate Similarity 0.7797 NPC147091
Intermediate Similarity 0.7796 NPC126284
Intermediate Similarity 0.7795 NPC471489
Intermediate Similarity 0.779 NPC476573
Intermediate Similarity 0.779 NPC81247
Intermediate Similarity 0.779 NPC35627
Intermediate Similarity 0.7772 NPC192135
Intermediate Similarity 0.7772 NPC66341
Intermediate Similarity 0.7772 NPC477020
Intermediate Similarity 0.7771 NPC8337
Intermediate Similarity 0.7771 NPC85747
Intermediate Similarity 0.7765 NPC18402
Intermediate Similarity 0.776 NPC69712
Intermediate Similarity 0.776 NPC477562
Intermediate Similarity 0.776 NPC26240
Intermediate Similarity 0.7742 NPC118633
Intermediate Similarity 0.7742 NPC294790
Intermediate Similarity 0.7742 NPC148693
Intermediate Similarity 0.772 NPC33256
Intermediate Similarity 0.7713 NPC248642
Intermediate Similarity 0.7705 NPC470324
Intermediate Similarity 0.7701 NPC32154
Intermediate Similarity 0.7688 NPC35680
Intermediate Similarity 0.7684 NPC230098
Intermediate Similarity 0.7672 NPC135772
Intermediate Similarity 0.7672 NPC156576
Intermediate Similarity 0.767 NPC81733
Intermediate Similarity 0.767 NPC326316
Intermediate Similarity 0.766 NPC155442
Intermediate Similarity 0.766 NPC477561
Intermediate Similarity 0.766 NPC312918
Intermediate Similarity 0.766 NPC476574
Intermediate Similarity 0.7657 NPC477565
Intermediate Similarity 0.7657 NPC103379
Intermediate Similarity 0.7654 NPC476572
Intermediate Similarity 0.765 NPC284842
Intermediate Similarity 0.765 NPC210140
Intermediate Similarity 0.7644 NPC179825
Intermediate Similarity 0.7644 NPC191376
Intermediate Similarity 0.7644 NPC321505
Intermediate Similarity 0.764 NPC204828
Intermediate Similarity 0.764 NPC189266
Intermediate Similarity 0.764 NPC110416
Intermediate Similarity 0.764 NPC99659
Intermediate Similarity 0.764 NPC2413
Intermediate Similarity 0.764 NPC276588
Intermediate Similarity 0.764 NPC295691
Intermediate Similarity 0.764 NPC207757
Intermediate Similarity 0.764 NPC325871
Intermediate Similarity 0.764 NPC39701
Intermediate Similarity 0.764 NPC193949
Intermediate Similarity 0.764 NPC249797
Intermediate Similarity 0.764 NPC278799
Intermediate Similarity 0.764 NPC5238
Intermediate Similarity 0.764 NPC54379
Intermediate Similarity 0.764 NPC184026
Intermediate Similarity 0.764 NPC469817
Intermediate Similarity 0.764 NPC172765
Intermediate Similarity 0.764 NPC127674
Intermediate Similarity 0.7637 NPC225774
Intermediate Similarity 0.7627 NPC475718
Intermediate Similarity 0.7624 NPC60186
Intermediate Similarity 0.7617 NPC478093
Intermediate Similarity 0.7609 NPC204908
Intermediate Similarity 0.7609 NPC83198
Intermediate Similarity 0.7606 NPC474507
Intermediate Similarity 0.7606 NPC149285
Intermediate Similarity 0.7606 NPC474745
Intermediate Similarity 0.7604 NPC82763
Intermediate Similarity 0.7602 NPC267414
Intermediate Similarity 0.76 NPC135538
Intermediate Similarity 0.76 NPC24233
Intermediate Similarity 0.76 NPC147390
Intermediate Similarity 0.76 NPC246587
Intermediate Similarity 0.76 NPC428
Intermediate Similarity 0.76 NPC476571
Intermediate Similarity 0.7596 NPC24264
Intermediate Similarity 0.7596 NPC476432
Intermediate Similarity 0.7596 NPC219341
Intermediate Similarity 0.7594 NPC148709
Intermediate Similarity 0.7594 NPC241704
Intermediate Similarity 0.7594 NPC173416
Intermediate Similarity 0.7594 NPC476577
Intermediate Similarity 0.7577 NPC473589
Intermediate Similarity 0.7577 NPC478092
Intermediate Similarity 0.7577 NPC478091
Intermediate Similarity 0.7577 NPC30182
Intermediate Similarity 0.7576 NPC475747
Intermediate Similarity 0.7569 NPC232924
Intermediate Similarity 0.7569 NPC306902
Intermediate Similarity 0.7569 NPC477559
Intermediate Similarity 0.7569 NPC160298
Intermediate Similarity 0.7569 NPC266753
Intermediate Similarity 0.7556 NPC65490
Intermediate Similarity 0.7556 NPC315707
Intermediate Similarity 0.7556 NPC78359
Intermediate Similarity 0.7556 NPC148014
Intermediate Similarity 0.7556 NPC40389
Intermediate Similarity 0.7556 NPC129603
Intermediate Similarity 0.7554 NPC150879
Intermediate Similarity 0.7554 NPC247389
Intermediate Similarity 0.7553 NPC474325
Intermediate Similarity 0.755 NPC80472
Intermediate Similarity 0.7543 NPC476151
Intermediate Similarity 0.7541 NPC134858
Intermediate Similarity 0.7541 NPC16805
Intermediate Similarity 0.7541 NPC232514
Intermediate Similarity 0.7541 NPC276944
Intermediate Similarity 0.7541 NPC238530
Intermediate Similarity 0.7541 NPC167546
Intermediate Similarity 0.7541 NPC302527
Intermediate Similarity 0.754 NPC477558
Intermediate Similarity 0.7529 NPC185838
Intermediate Similarity 0.7528 NPC133011
Intermediate Similarity 0.7528 NPC82285
Intermediate Similarity 0.7526 NPC94499
Intermediate Similarity 0.7514 NPC97221
Intermediate Similarity 0.7514 NPC88249
Intermediate Similarity 0.7514 NPC192768
Intermediate Similarity 0.7514 NPC151895
Intermediate Similarity 0.7514 NPC474556
Intermediate Similarity 0.7514 NPC471852
Intermediate Similarity 0.7514 NPC241055
Intermediate Similarity 0.7514 NPC220858
Intermediate Similarity 0.7513 NPC207239
Intermediate Similarity 0.7513 NPC220961
Intermediate Similarity 0.75 NPC256012
Intermediate Similarity 0.75 NPC240841

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  285.14
ALogP  -1.0261
MLogP  2.89
XLogP  0.907
HDA  2
HBD  1
Rotatable Bonds  2
TPSA  49.77
RO5 Violation  0