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MMsINC code: MMs03216234

Type: Neutral
Formula: C₁₄H₁₃NO₂

SMILES:

OC(=O)c1ccccc1Nc1ccc(cc1)C

InChI:

InChI=1/C14H13NO2/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.0824 kcal/mol

Physical Properties
Molecular Weight: 227.263 g/mol	logS: -3.44852	SlogP: 3.43682	Reactive groups: 0

Topological Properties
Globularity: 0.162131	Sterimol/B1: 2.58217	Sterimol/B2: 4.46168	Sterimol/B3: 4.85154
Sterimol/B4: 4.9225	Sterimol/L: 13.142

Surface and Volume Properties
Accessible surface: 443.602	Positive charged surface: 265.992	Negative charged surface: 177.61	Volume: 223.125
Hydrophobic surface: 347.815	Hydrophilic surface: 95.787

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

MMs03216235
PUBCHEM-ZINC05160660