Drug Information

Drug ID:  NPD5260
Drug Name:  Sufentanil
Molecular Formula:  C22H30N2O2S
Canonical SMILES:  COCC1(CCN(CC1)CCc1cccs1)N(c1ccccc1)C(=O)CC
Standard InCHI:  InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3
Standard InCHIKey:  GGCSSNBKKAUURC-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD5260

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
Remote Similarity 0.6692 NPC120203
Remote Similarity 0.6577 NPC473417
Remote Similarity 0.6541 NPC291610
Remote Similarity 0.6474 NPC470301
Remote Similarity 0.6466 NPC11466
Remote Similarity 0.6414 NPC316582
Remote Similarity 0.6398 NPC321617
Remote Similarity 0.6391 NPC75496
Remote Similarity 0.6369 NPC328270
Remote Similarity 0.6324 NPC328877
Remote Similarity 0.6276 NPC228515
Remote Similarity 0.6266 NPC22082
Remote Similarity 0.6266 NPC186284
Remote Similarity 0.625 NPC187231
Remote Similarity 0.6222 NPC326792
Remote Similarity 0.6207 NPC31651
Remote Similarity 0.6203 NPC130251
Remote Similarity 0.619 NPC143325
Remote Similarity 0.6187 NPC20322
Remote Similarity 0.6139 NPC469560
Remote Similarity 0.6129 NPC130655
Remote Similarity 0.6115 NPC471123
Remote Similarity 0.6071 NPC29285
Remote Similarity 0.6036 NPC113946
Remote Similarity 0.6024 NPC243756
Remote Similarity 0.5973 NPC302169
Remote Similarity 0.5964 NPC473329
Remote Similarity 0.5963 NPC301760
Remote Similarity 0.5951 NPC320863
Remote Similarity 0.5948 NPC250476
Remote Similarity 0.593 NPC472120
Remote Similarity 0.593 NPC472101
Remote Similarity 0.592 NPC475920
Remote Similarity 0.5915 NPC477556
Remote Similarity 0.5906 NPC226143
Remote Similarity 0.589 NPC469537
Remote Similarity 0.5886 NPC316104
Remote Similarity 0.5886 NPC162417
Remote Similarity 0.5876 NPC285622
Remote Similarity 0.5872 NPC472102
Remote Similarity 0.5872 NPC225319
Remote Similarity 0.5872 NPC309531
Remote Similarity 0.5862 NPC472106
Remote Similarity 0.585 NPC218710
Remote Similarity 0.5844 NPC273714
Remote Similarity 0.5838 NPC176983
Remote Similarity 0.5838 NPC472117
Remote Similarity 0.5833 NPC66936
Remote Similarity 0.5833 NPC154602
Remote Similarity 0.5829 NPC214960
Remote Similarity 0.5829 NPC279527
Remote Similarity 0.5828 NPC314192
Remote Similarity 0.5824 NPC161143
Remote Similarity 0.5822 NPC57051
Remote Similarity 0.5821 NPC473661
Remote Similarity 0.5819 NPC471648
Remote Similarity 0.5818 NPC470824
Remote Similarity 0.5814 NPC471122
Remote Similarity 0.5802 NPC204156
Remote Similarity 0.5802 NPC315051
Remote Similarity 0.58 NPC177684
Remote Similarity 0.58 NPC291962
Remote Similarity 0.5799 NPC122106
Remote Similarity 0.5796 NPC231382
Remote Similarity 0.5789 NPC315257
Remote Similarity 0.5778 NPC28848
Remote Similarity 0.5778 NPC14325
Remote Similarity 0.5778 NPC474974
Remote Similarity 0.5764 NPC190955
Remote Similarity 0.5763 NPC91895
Remote Similarity 0.5762 NPC258531
Remote Similarity 0.5762 NPC112373
Remote Similarity 0.5762 NPC161956
Remote Similarity 0.5758 NPC470822
Remote Similarity 0.5756 NPC104345
Remote Similarity 0.5749 NPC212799
Remote Similarity 0.5747 NPC286871
Remote Similarity 0.5744 NPC314930
Remote Similarity 0.5744 NPC214827
Remote Similarity 0.5724 NPC257490
Remote Similarity 0.5724 NPC475915
Remote Similarity 0.5722 NPC329961
Remote Similarity 0.5722 NPC122427
Remote Similarity 0.5714 NPC109787
Remote Similarity 0.5714 NPC267508
Remote Similarity 0.5707 NPC2933
Remote Similarity 0.5707 NPC302235
Remote Similarity 0.5706 NPC117032
Remote Similarity 0.5705 NPC476950
Remote Similarity 0.5698 NPC469536
Remote Similarity 0.5698 NPC177261
Remote Similarity 0.5698 NPC473743
Remote Similarity 0.569 NPC143457
Remote Similarity 0.569 NPC201424
Remote Similarity 0.5689 NPC470440
Remote Similarity 0.5687 NPC313352
Remote Similarity 0.5684 NPC239660
Remote Similarity 0.5684 NPC106235
Remote Similarity 0.5684 NPC294693
Remote Similarity 0.5682 NPC471124
Remote Similarity 0.5679 NPC287358
Remote Similarity 0.5679 NPC122553
Remote Similarity 0.5676 NPC259626
Remote Similarity 0.5673 NPC478076
Remote Similarity 0.5671 NPC468984
Remote Similarity 0.5671 NPC104483
Remote Similarity 0.5665 NPC61013
Remote Similarity 0.5665 NPC79386
Remote Similarity 0.5661 NPC165538
Remote Similarity 0.5659 NPC475094
Remote Similarity 0.5657 NPC475024
Remote Similarity 0.5657 NPC282339
Remote Similarity 0.5657 NPC99632
Remote Similarity 0.5652 NPC300299
Remote Similarity 0.5652 NPC256288
Remote Similarity 0.565 NPC472115
Remote Similarity 0.565 NPC472114
Remote Similarity 0.5649 NPC283130
Remote Similarity 0.5649 NPC328683
Remote Similarity 0.5644 NPC65408
Remote Similarity 0.5641 NPC182507
Remote Similarity 0.5636 NPC238499
Remote Similarity 0.5635 NPC129624
Remote Similarity 0.5633 NPC300315
Remote Similarity 0.5633 NPC287895
Remote Similarity 0.5632 NPC193410
Remote Similarity 0.5632 NPC276085
Remote Similarity 0.5617 NPC325599
Remote Similarity 0.5614 NPC285381
Remote Similarity 0.5611 NPC251212
Remote Similarity 0.5611 NPC214626
Remote Similarity 0.5611 NPC96901
Remote Similarity 0.5611 NPC139085
Remote Similarity 0.5608 NPC187036
Remote Similarity 0.5608 NPC296163
Remote Similarity 0.5605 NPC151779
Remote Similarity 0.5605 NPC478079
Remote Similarity 0.5602 NPC478040
Remote Similarity 0.5602 NPC308197
Remote Similarity 0.56 NPC248117
Remote Similarity 0.56 NPC474058
Remote Similarity 0.56 NPC68650

Drug Structure

External Identifiers

TTD   DNCL002687; DAP000357; DIB007970
DrugBank   DB00708
ChEMBL   CHEMBL658
IUPHAR/BPS   3534
PharmaGKB   PA451527
KEGG Drug   D05938
PubChem CID   41693; 65494
ChEBI   9316
CAS Number  56030-54-7

Drug Properties

Molecular Weight  386.20
ALogP  -1.0992
MLogP  3.33
XLogP  4.804
HDA  4
HBD  0
Rotatable Bonds  11
TPSA  61.02
RO5 Violation  0