NPASS drugs

Drug Information

Drug ID:	NPD907
Drug Name:	Sodium Lauryl Sulfate
Molecular Formula:	C12H26O4S.Na
Canonical SMILES:	CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
Standard InCHI:	InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
Standard InCHIKey:	DBMJMQXJHONAFJ-UHFFFAOYSA-M
Max Developmental Stage:	Approved
Max Developmental Stage Source:	DrugBank

Structural Similarity Between NPASS Natural Products and NPD907

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	421
0.1-0.2	15037
0.2-0.3	10492
0.3-0.4	4180
0.4-0.5	563
0.5-0.6	134
0.6-0.7	46
0.7-0.8	13
0.8-0.85	1
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

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Similarity Level	Similarity Score	Natural Product ID
High Similarity	1.0	NPC272426
High Similarity	0.9355	NPC474120
High Similarity	0.9355	NPC474089
Intermediate Similarity	0.8276	NPC474048
Intermediate Similarity	0.7778	NPC469712
Intermediate Similarity	0.7778	NPC473568
Intermediate Similarity	0.7778	NPC469714
Intermediate Similarity	0.7436	NPC474126
Intermediate Similarity	0.7436	NPC474125
Intermediate Similarity	0.7273	NPC236797

Showing 1 to 10 of 85 entries

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Drug Structure

External Identifiers

TTD	DAP001227
DrugBank	DB00815
ChEMBL	CHEMBL23393
IUPHAR/BPS
PharmaGKB	PA451398
KEGG Drug	D01045
PubChem CID
ChEBI	8984
CAS Number	151-21-3

Drug Properties

Molecular Weight	265.15
ALogP	-4.004
MLogP	2.23
XLogP	4.106
HDA	4
HBD	0
Rotatable Bonds	14
TPSA	74.81
RO5 Violation	1