NPASS drugs

Drug Information

Drug ID:	NPD384
Drug Name:	Menthol
Molecular Formula:	C10H20O
Canonical SMILES:	CC1CCC(C(C1)O)C(C)C
Standard InCHI:	InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
Standard InCHIKey:	NOOLISFMXDJSKH-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD384

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	151
0.1-0.2	3030
0.2-0.3	13247
0.3-0.4	6984
0.4-0.5	5235
0.5-0.6	1775
0.6-0.7	384
0.7-0.8	72
0.8-0.85	4
0.85-0.9	2
0.9-0.95	0
0.95-1	6

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	NPC84030
High Similarity	1.0	NPC198540
High Similarity	1.0	NPC287550
High Similarity	1.0	NPC223468
High Similarity	1.0	NPC147343
High Similarity	1.0	NPC176309
High Similarity	0.8864	NPC144891
High Similarity	0.86	NPC53209
Intermediate Similarity	0.8367	NPC307022
Intermediate Similarity	0.8077	NPC471269

Showing 1 to 10 of 200 entries

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Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight	156.15
ALogP	0.6563
MLogP	2.45
XLogP	3.211
HDA	1
HBD	1
Rotatable Bonds	5
TPSA	20.23
RO5 Violation	0