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MMsINC code: MMs00584279

Type: Neutral
Formula: C₁₅H₁₄ClNO

SMILES:

Clc1ccc(cc1)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C15H14ClNO/c1-11(12-5-3-2-4-6-12)17-15(18)13-7-9-14(16)10-8-13/h2-11H,1H3,(H,17,18)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.6711 kcal/mol

Physical Properties
Molecular Weight: 259.736 g/mol	logS: -4.36041	SlogP: 3.9265	Reactive groups: 0

Topological Properties
Globularity: 0.0703521	Sterimol/B1: 2.18294	Sterimol/B2: 2.30029	Sterimol/B3: 4.66577
Sterimol/B4: 6.24998	Sterimol/L: 15.1813

Surface and Volume Properties
Accessible surface: 496.466	Positive charged surface: 232.13	Negative charged surface: 264.336	Volume: 252
Hydrophobic surface: 442.778	Hydrophilic surface: 53.688

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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: no related molecules available.