NPASS drugs

Drug Information

Drug ID:	NPD9108
Drug Name:	Sulfanilamide
Molecular Formula:	C6H8N2O2S
Canonical SMILES:	Nc1ccc(cc1)S(=O)(=O)N
Standard InCHI:	InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
Standard InCHIKey:	FDDDEECHVMSUSB-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD9108

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.

Range	Similarity Score Range
0-0.1	1123
0.1-0.2	10412
0.2-0.3	12989
0.3-0.4	5228
0.4-0.5	983
0.5-0.6	121
0.6-0.7	24
0.7-0.8	7
0.8-0.85	0
0.85-0.9	0
0.9-0.95	2
0.95-1	1

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

Show entries

Search:

Similarity Level	Similarity Score	Natural Product ID
High Similarity	1.0	NPC315403
High Similarity	0.9294	NPC43655
High Similarity	0.908	NPC107135
Intermediate Similarity	0.7882	NPC301874
Intermediate Similarity	0.7831	NPC271732
Intermediate Similarity	0.7386	NPC35599
Intermediate Similarity	0.7368	NPC297532
Intermediate Similarity	0.7356	NPC66775
Intermediate Similarity	0.7273	NPC218710
Intermediate Similarity	0.7021	NPC134825

Showing 1 to 10 of 58 entries

Previous1 2 3 4 5 6Next

Drug Structure

External Identifiers

TTD	DNC001391
DrugBank	DB00259
ChEMBL	CHEMBL21
IUPHAR/BPS
PharmaGKB	PA451545
KEGG Drug
PubChem CID	5333
ChEBI	45373
CAS Number	63-74-1

Drug Properties

Molecular Weight	172.03
ALogP	-1.6864
MLogP	1.57
XLogP	-0.15
HDA	4
HBD	2
Rotatable Bonds	3
TPSA	94.56
RO5 Violation	0