MMsINC Database Search


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MMsINC code: MMs00589920

Type: Neutral
Formula: C₂₀H₁₆ClNO

SMILES:

Clc1cc(ccc1)C(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H16ClNO/c21-18-13-7-12-17(14-18)20(23)22-19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19H,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8887 kcal/mol

Physical Properties
Molecular Weight: 321.807 g/mol	logS: -5.8011	SlogP: 4.9549	Reactive groups: 0

Topological Properties
Globularity: 0.180422	Sterimol/B1: 2.30435	Sterimol/B2: 3.94069	Sterimol/B3: 4.24005
Sterimol/B4: 9.16548	Sterimol/L: 13.8525

Surface and Volume Properties
Accessible surface: 576.126	Positive charged surface: 261.346	Negative charged surface: 314.78	Volume: 313.875
Hydrophobic surface: 545.093	Hydrophilic surface: 31.033

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.