Drug Information

Drug ID:  NPD1387
Drug Name:  Ordopidine
Molecular Formula:  C14H20FNO2S
Canonical SMILES:  CCN1CCC(CC1)c1cccc(c1F)S(=O)(=O)C
Standard InCHI:  InChI=1S/C14H20FNO2S/c1-3-16-9-7-11(8-10-16)12-5-4-6-13(14(12)15)19(2,17)18/h4-6,11H,3,7-10H2,1-2H3
Standard InCHIKey:  UKUPJASJNQDHPH-UHFFFAOYSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1387

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 0.6863 NPC104070
Remote Similarity 0.6863 NPC474088
Remote Similarity 0.6759 NPC473661
Remote Similarity 0.6667 NPC231986
Remote Similarity 0.6667 NPC470926
Remote Similarity 0.6577 NPC317400
Remote Similarity 0.65 NPC271642
Remote Similarity 0.65 NPC302129
Remote Similarity 0.6449 NPC305602
Remote Similarity 0.6449 NPC17497
Remote Similarity 0.6429 NPC313850
Remote Similarity 0.6408 NPC475289
Remote Similarity 0.6408 NPC475573
Remote Similarity 0.64 NPC98976
Remote Similarity 0.6364 NPC244738
Remote Similarity 0.6355 NPC258046
Remote Similarity 0.6337 NPC35599
Remote Similarity 0.6337 NPC139658
Remote Similarity 0.6289 NPC181786
Remote Similarity 0.625 NPC71140
Remote Similarity 0.62 NPC212463
Remote Similarity 0.6195 NPC329430
Remote Similarity 0.6186 NPC52330
Remote Similarity 0.6168 NPC169016
Remote Similarity 0.6168 NPC133162
Remote Similarity 0.6154 NPC239854
Remote Similarity 0.6147 NPC53492
Remote Similarity 0.6134 NPC167336
Remote Similarity 0.6106 NPC322040
Remote Similarity 0.6078 NPC276699
Remote Similarity 0.6068 NPC474582
Remote Similarity 0.6066 NPC158854
Remote Similarity 0.6061 NPC5324
Remote Similarity 0.6058 NPC12857
Remote Similarity 0.6055 NPC148231
Remote Similarity 0.6047 NPC302169
Remote Similarity 0.6 NPC473417
Remote Similarity 0.6 NPC60408
Remote Similarity 0.6 NPC473418
Remote Similarity 0.6 NPC229235
Remote Similarity 0.6 NPC135924
Remote Similarity 0.598 NPC112609
Remote Similarity 0.598 NPC299134
Remote Similarity 0.598 NPC113000
Remote Similarity 0.598 NPC122327
Remote Similarity 0.5979 NPC32312
Remote Similarity 0.5979 NPC198023
Remote Similarity 0.5979 NPC155172
Remote Similarity 0.5962 NPC290638
Remote Similarity 0.5935 NPC292758
Remote Similarity 0.5935 NPC65855
Remote Similarity 0.5917 NPC469974
Remote Similarity 0.5913 NPC256452
Remote Similarity 0.5912 NPC32858
Remote Similarity 0.5912 NPC194857
Remote Similarity 0.5897 NPC120203
Remote Similarity 0.5876 NPC88566
Remote Similarity 0.5876 NPC45756
Remote Similarity 0.5873 NPC476048
Remote Similarity 0.5868 NPC474695
Remote Similarity 0.584 NPC181390
Remote Similarity 0.5833 NPC14326
Remote Similarity 0.5833 NPC210849
Remote Similarity 0.5826 NPC474974
Remote Similarity 0.5826 NPC471309
Remote Similarity 0.5814 NPC476440
Remote Similarity 0.5812 NPC472258
Remote Similarity 0.581 NPC98269
Remote Similarity 0.581 NPC325662
Remote Similarity 0.578 NPC119677
Remote Similarity 0.5776 NPC303045
Remote Similarity 0.5776 NPC161972
Remote Similarity 0.5773 NPC29680
Remote Similarity 0.5766 NPC203076
Remote Similarity 0.5763 NPC322598
Remote Similarity 0.5758 NPC178527
Remote Similarity 0.5758 NPC36440
Remote Similarity 0.5755 NPC67863
Remote Similarity 0.575 NPC291610
Remote Similarity 0.5728 NPC54269
Remote Similarity 0.5714 NPC475013
Remote Similarity 0.5714 NPC471638
Remote Similarity 0.5714 NPC22627
Remote Similarity 0.5714 NPC473031
Remote Similarity 0.5714 NPC113670
Remote Similarity 0.57 NPC267443
Remote Similarity 0.5692 NPC254088
Remote Similarity 0.5691 NPC45033
Remote Similarity 0.5686 NPC219246
Remote Similarity 0.5684 NPC300345
Remote Similarity 0.5684 NPC212114
Remote Similarity 0.5684 NPC65873
Remote Similarity 0.5684 NPC120441
Remote Similarity 0.5676 NPC3210
Remote Similarity 0.567 NPC246588
Remote Similarity 0.567 NPC150196
Remote Similarity 0.567 NPC238023
Remote Similarity 0.567 NPC45255
Remote Similarity 0.567 NPC310758
Remote Similarity 0.567 NPC54368
Remote Similarity 0.567 NPC248705
Remote Similarity 0.5667 NPC469457
Remote Similarity 0.5664 NPC12429
Remote Similarity 0.5659 NPC218710
Remote Similarity 0.5652 NPC245259
Remote Similarity 0.5636 NPC125549
Remote Similarity 0.5614 NPC470877
Remote Similarity 0.5612 NPC71009
Remote Similarity 0.5612 NPC22786

Drug Structure

External Identifiers

TTD   DIB007760
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  285.12
ALogP  -0.3362
MLogP  2.45
XLogP  2.604
HDA  3
HBD  0
Rotatable Bonds  6
TPSA  45.76
RO5 Violation  0