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MMsINC code: MMs00847087

Type: Neutral
Formula: C₁₅H₁₅NO₂

SMILES:

OC(=O)c1ccc(NCc2ccc(cc2)C)cc1

InChI:

InChI=1/C15H15NO2/c1-11-2-4-12(5-3-11)10-16-14-8-6-13(7-9-14)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.0345 kcal/mol

Physical Properties
Molecular Weight: 241.29 g/mol	logS: -3.39256	SlogP: 3.57172	Reactive groups: 0

Topological Properties
Globularity: 0.0477593	Sterimol/B1: 3.57455	Sterimol/B2: 3.61649	Sterimol/B3: 3.61935
Sterimol/B4: 3.76334	Sterimol/L: 17.0138

Surface and Volume Properties
Accessible surface: 493.138	Positive charged surface: 288.002	Negative charged surface: 205.136	Volume: 244.25
Hydrophobic surface: 377.839	Hydrophilic surface: 115.299

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	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

MMs00847088
CHEMDIV-ZINC00259187