Drug Information

Drug ID:  NPD278
Drug Name:  Sulthiame
Molecular Formula:  C10H14N2O4S2
Canonical SMILES:  O=S1(=O)CCCCN1c1ccc(cc1)S(=O)(=O)N
Standard InCHI:  InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
Standard InCHIKey:  HMHVCUVYZFYAJI-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD278

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
Intermediate Similarity 0.802 NPC315403
Intermediate Similarity 0.7913 NPC218710
Intermediate Similarity 0.7476 NPC43655
Intermediate Similarity 0.7333 NPC107135
Intermediate Similarity 0.7244 NPC321053
Intermediate Similarity 0.7105 NPC328877
Intermediate Similarity 0.7075 NPC297532
Remote Similarity 0.6952 NPC229477
Remote Similarity 0.6923 NPC134825
Remote Similarity 0.6783 NPC291610
Remote Similarity 0.664 NPC31651
Remote Similarity 0.661 NPC313362
Remote Similarity 0.641 NPC326792
Remote Similarity 0.6408 NPC35599
Remote Similarity 0.6373 NPC66775
Remote Similarity 0.6343 NPC328590
Remote Similarity 0.6311 NPC301874
Remote Similarity 0.6303 NPC474430
Remote Similarity 0.6238 NPC271732
Remote Similarity 0.6186 NPC75496
Remote Similarity 0.6179 NPC302790
Remote Similarity 0.6176 NPC473417
Remote Similarity 0.6111 NPC307456
Remote Similarity 0.6098 NPC20322
Remote Similarity 0.6029 NPC135488
Remote Similarity 0.6029 NPC476140
Remote Similarity 0.6016 NPC473901
Remote Similarity 0.6 NPC15839
Remote Similarity 0.5948 NPC469897
Remote Similarity 0.594 NPC475915
Remote Similarity 0.589 NPC478040
Remote Similarity 0.5878 NPC313449
Remote Similarity 0.5865 NPC11863
Remote Similarity 0.5852 NPC56856
Remote Similarity 0.5844 NPC316910
Remote Similarity 0.584 NPC79618
Remote Similarity 0.584 NPC434
Remote Similarity 0.5833 NPC317642
Remote Similarity 0.5814 NPC187036
Remote Similarity 0.5814 NPC296163
Remote Similarity 0.5802 NPC125416
Remote Similarity 0.5794 NPC164802
Remote Similarity 0.5785 NPC213774
Remote Similarity 0.5776 NPC191444
Remote Similarity 0.5776 NPC92689
Remote Similarity 0.5763 NPC476483
Remote Similarity 0.5725 NPC143156
Remote Similarity 0.5725 NPC252794
Remote Similarity 0.5725 NPC288232
Remote Similarity 0.5714 NPC187231
Remote Similarity 0.5714 NPC104070
Remote Similarity 0.5702 NPC258046
Remote Similarity 0.569 NPC176858
Remote Similarity 0.5669 NPC231655
Remote Similarity 0.5667 NPC317400
Remote Similarity 0.5652 NPC262295
Remote Similarity 0.5646 NPC470301
Remote Similarity 0.5641 NPC78154
Remote Similarity 0.5639 NPC192209
Remote Similarity 0.5638 NPC320863
Remote Similarity 0.5608 NPC473429
Remote Similarity 0.5603 NPC111233
Remote Similarity 0.5603 NPC30445

Drug Structure

External Identifiers

TTD   DNC003384
DrugBank   DB08329
ChEMBL   CHEMBL328560
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   5356
ChEBI   32171
CAS Number  61-56-3

Drug Properties

Molecular Weight  290.04
ALogP  -2.4258
MLogP  1.68
XLogP  0.514
HDA  6
HBD  1
Rotatable Bonds  3
TPSA  114.3
RO5 Violation  0