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MMsINC code: MMs01608104

Type: Neutral
Formula: C₁₆H₁₅ClN₂O₃

SMILES:

Clc1cc(NC(=O)C(Oc2ccccc2C(=O)N)C)ccc1

InChI:

InChI=1/C16H15ClN2O3/c1-10(16(21)19-12-6-4-5-11(17)9-12)22-14-8-3-2-7-13(14)15(18)20/h2-10H,1H3,(H2,18,20)(H,19,21)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.5963 kcal/mol

Physical Properties
Molecular Weight: 318.76 g/mol	logS: -4.74531	SlogP: 2.8449	Reactive groups: 0

Topological Properties
Globularity: 0.0482877	Sterimol/B1: 2.35724	Sterimol/B2: 2.44247	Sterimol/B3: 4.47716
Sterimol/B4: 7.02329	Sterimol/L: 16.8435

Surface and Volume Properties
Accessible surface: 551.06	Positive charged surface: 289.723	Negative charged surface: 261.337	Volume: 285.125
Hydrophobic surface: 400.214	Hydrophilic surface: 150.846

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