NPASS drugs

Drug Information

Drug ID:	NPD9568
Drug Name:	Tyrosine
Molecular Formula:	C9H11NO3
Canonical SMILES:	OC(=O)[C@H](Cc1ccc(cc1)O)N
Standard InCHI:	InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
Standard InCHIKey:	OUYCCCASQSFEME-QMMMGPOBSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD9568

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	95
0.1-0.2	709
0.2-0.3	2989
0.3-0.4	9359
0.4-0.5	5288
0.5-0.6	9787
0.6-0.7	2314
0.7-0.8	298
0.8-0.85	32
0.85-0.9	7
0.9-0.95	8
0.95-1	4

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	NPC106551
High Similarity	1.0	NPC281686
High Similarity	1.0	NPC188867
High Similarity	0.973	NPC239697
High Similarity	0.9464	NPC142638
High Similarity	0.9464	NPC317784
High Similarity	0.9304	NPC27581
High Similarity	0.9217	NPC326079
High Similarity	0.9043	NPC319950
High Similarity	0.9	NPC161593

Showing 1 to 10 of 200 entries

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Drug Structure

External Identifiers

TTD	DAP000808
DrugBank	DB00135
ChEMBL	CHEMBL925
IUPHAR/BPS
PharmaGKB	PA451822
KEGG Drug	D00022
PubChem CID	6057
ChEBI	58315
CAS Number	60-18-4

Drug Properties

Molecular Weight	181.07
ALogP	-1.5447
MLogP	2.01
XLogP	-1.577
HDA	3
HBD	3
Rotatable Bonds	6
TPSA	83.55
RO5 Violation	0