MMsINC Database Search


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MMsINC code: MMs02639483

Type: Neutral
Formula: C₁₈H₁₅ClN₂O₂

SMILES:

Clc1ccc(N2C(=O)C(N(Cc3ccccc3)C)=CC2=O)cc1

InChI:

InChI=1/C18H15ClN2O2/c1-20(12-13-5-3-2-4-6-13)16-11-17(22)21(18(16)23)15-9-7-14(19)8-10-15/h2-11H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.1618 kcal/mol

Physical Properties
Molecular Weight: 326.783 g/mol	logS: -4.98858	SlogP: 3.4955	Reactive groups: 1

Topological Properties
Globularity: 0.0822112	Sterimol/B1: 2.21139	Sterimol/B2: 3.46016	Sterimol/B3: 4.04642
Sterimol/B4: 7.1865	Sterimol/L: 16.9507

Surface and Volume Properties
Accessible surface: 542.839	Positive charged surface: 280.585	Negative charged surface: 262.254	Volume: 301
Hydrophobic surface: 472.966	Hydrophilic surface: 69.873

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.