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MMsINC code: MMs02367146

Type: Neutral
Formula: C₁₅H₁₅NO₃

SMILES:

O(Cc1ccccc1)c1c(N)c(ccc1C)C(O)=O

InChI:

InChI=1/C15H15NO3/c1-10-7-8-12(15(17)18)13(16)14(10)19-9-11-5-3-2-4-6-11/h2-8H,9,16H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.2574 kcal/mol

Physical Properties
Molecular Weight: 257.289 g/mol	logS: -3.05391	SlogP: 3.12082	Reactive groups: 0

Topological Properties
Globularity: 0.0207111	Sterimol/B1: 2.1385	Sterimol/B2: 2.3481	Sterimol/B3: 3.0906
Sterimol/B4: 7.31443	Sterimol/L: 15.1058

Surface and Volume Properties
Accessible surface: 474.114	Positive charged surface: 278.991	Negative charged surface: 195.122	Volume: 252.25
Hydrophobic surface: 341.949	Hydrophilic surface: 132.165

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02367147
NCID-ZINC01760777