Drug Information

Drug ID:  NPD1386
Drug Name:  Seridopidine
Molecular Formula:  C14H20FNO2S
Canonical SMILES:  CCN1CCC(CC1)c1cc(F)cc(c1)S(=O)(=O)C
Standard InCHI:  InChI=1S/C14H20FNO2S/c1-3-16-6-4-11(5-7-16)12-8-13(15)10-14(9-12)19(2,17)18/h8-11H,3-7H2,1-2H3
Standard InCHIKey:  PHRDGRSMZPOCAB-UHFFFAOYSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1386

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 0.6765 NPC104070
Remote Similarity 0.6765 NPC474088
Remote Similarity 0.6667 NPC473661
Remote Similarity 0.6574 NPC470926
Remote Similarity 0.6569 NPC231986
Remote Similarity 0.6486 NPC317400
Remote Similarity 0.64 NPC271642
Remote Similarity 0.64 NPC302129
Remote Similarity 0.6357 NPC313850
Remote Similarity 0.6355 NPC17497
Remote Similarity 0.6355 NPC305602
Remote Similarity 0.6311 NPC475573
Remote Similarity 0.6311 NPC475289
Remote Similarity 0.63 NPC98976
Remote Similarity 0.6263 NPC244738
Remote Similarity 0.6262 NPC258046
Remote Similarity 0.6238 NPC35599
Remote Similarity 0.6238 NPC139658
Remote Similarity 0.6186 NPC181786
Remote Similarity 0.6161 NPC71140
Remote Similarity 0.6106 NPC329430
Remote Similarity 0.61 NPC212463
Remote Similarity 0.6082 NPC52330
Remote Similarity 0.6075 NPC169016
Remote Similarity 0.6075 NPC133162
Remote Similarity 0.6068 NPC239854
Remote Similarity 0.6055 NPC53492
Remote Similarity 0.605 NPC167336
Remote Similarity 0.6018 NPC322040
Remote Similarity 0.5984 NPC158854
Remote Similarity 0.5983 NPC474582
Remote Similarity 0.598 NPC276699
Remote Similarity 0.5969 NPC302169
Remote Similarity 0.5963 NPC148231
Remote Similarity 0.5962 NPC12857
Remote Similarity 0.596 NPC5324
Remote Similarity 0.5938 NPC45756
Remote Similarity 0.5926 NPC473417
Remote Similarity 0.5917 NPC473418
Remote Similarity 0.5909 NPC60408
Remote Similarity 0.59 NPC229235
Remote Similarity 0.5895 NPC135924
Remote Similarity 0.5882 NPC112609
Remote Similarity 0.5882 NPC299134
Remote Similarity 0.5882 NPC113000
Remote Similarity 0.5882 NPC122327
Remote Similarity 0.5876 NPC198023
Remote Similarity 0.5876 NPC32312
Remote Similarity 0.5876 NPC155172
Remote Similarity 0.5865 NPC290638
Remote Similarity 0.5854 NPC292758
Remote Similarity 0.5854 NPC65855
Remote Similarity 0.5839 NPC194857
Remote Similarity 0.5839 NPC32858
Remote Similarity 0.5833 NPC469974
Remote Similarity 0.5826 NPC256452
Remote Similarity 0.5812 NPC120203
Remote Similarity 0.5794 NPC476048
Remote Similarity 0.5785 NPC474695
Remote Similarity 0.5773 NPC88566
Remote Similarity 0.576 NPC181390
Remote Similarity 0.5741 NPC14326
Remote Similarity 0.5739 NPC474974
Remote Similarity 0.5739 NPC471309
Remote Similarity 0.5736 NPC476440
Remote Similarity 0.5729 NPC210849
Remote Similarity 0.5726 NPC472258
Remote Similarity 0.5714 NPC98269
Remote Similarity 0.5714 NPC325662
Remote Similarity 0.569 NPC303045
Remote Similarity 0.569 NPC161972
Remote Similarity 0.5688 NPC119677
Remote Similarity 0.5678 NPC322598
Remote Similarity 0.5676 NPC203076
Remote Similarity 0.567 NPC29680
Remote Similarity 0.5667 NPC291610
Remote Similarity 0.566 NPC67863
Remote Similarity 0.5657 NPC178527
Remote Similarity 0.5657 NPC36440
Remote Similarity 0.5635 NPC475013
Remote Similarity 0.5631 NPC54269
Remote Similarity 0.5625 NPC473031
Remote Similarity 0.5625 NPC471638
Remote Similarity 0.5615 NPC254088
Remote Similarity 0.5612 NPC113670
Remote Similarity 0.5612 NPC22627
Remote Similarity 0.561 NPC45033
Remote Similarity 0.56 NPC267443

Drug Structure

External Identifiers

TTD   DIB011241
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