MMsINC Database Search


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MMsINC code: MMs00197566

Type: Neutral
Formula: C₂₀H₁₅Cl₂NO

SMILES:

Clc1cc(Cl)ccc1NC(=O)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H15Cl2NO/c21-16-11-12-18(17(22)13-16)23-20(24)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.039 kcal/mol

Physical Properties
Molecular Weight: 356.252 g/mol	logS: -6.52738	SlogP: 5.764	Reactive groups: 0

Topological Properties
Globularity: 0.150809	Sterimol/B1: 2.45402	Sterimol/B2: 3.30252	Sterimol/B3: 4.6438
Sterimol/B4: 8.77933	Sterimol/L: 15.0255

Surface and Volume Properties
Accessible surface: 579.14	Positive charged surface: 260.811	Negative charged surface: 318.329	Volume: 325.5
Hydrophobic surface: 558.735	Hydrophilic surface: 20.405

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.