MMsINC Database Search


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MMsINC code: MMs00602028

Type: Neutral
Formula: C₂₀H₁₆ClNO

SMILES:

Clc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.234 kcal/mol

Physical Properties
Molecular Weight: 321.807 g/mol	logS: -5.79309	SlogP: 5.1106	Reactive groups: 0

Topological Properties
Globularity: 0.148567	Sterimol/B1: 2.20291	Sterimol/B2: 3.61765	Sterimol/B3: 4.32136
Sterimol/B4: 9.16281	Sterimol/L: 13.8424

Surface and Volume Properties
Accessible surface: 559.501	Positive charged surface: 282.045	Negative charged surface: 277.457	Volume: 309.375
Hydrophobic surface: 539.799	Hydrophilic surface: 19.702

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.