MMsINC Database Search


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MMsINC code: MMs00155922

Type: Neutral
Formula: C₁₉H₁₅ClN₂O₃

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)Nc1ccc(cc1)C(=O)C

InChI:

InChI=1/C19H15ClN2O3/c1-11(23)13-7-9-14(10-8-13)21-19(24)17-12(2)25-22-18(17)15-5-3-4-6-16(15)20/h3-10H,1-2H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.6111 kcal/mol

Physical Properties
Molecular Weight: 354.793 g/mol	logS: -5.75635	SlogP: 4.75832	Reactive groups: 0

Topological Properties
Globularity: 0.0939529	Sterimol/B1: 2.28429	Sterimol/B2: 3.75128	Sterimol/B3: 3.84736
Sterimol/B4: 10.2264	Sterimol/L: 15.7145

Surface and Volume Properties
Accessible surface: 589.098	Positive charged surface: 277.734	Negative charged surface: 311.364	Volume: 320.5
Hydrophobic surface: 499.89	Hydrophilic surface: 89.208

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.