MMsINC Database Search


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MMsINC code: MMs00491926

Type: Neutral
Formula: C₁₄H₁₁Cl₂NO₂

SMILES:

Clc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1

InChI:

InChI=1/C14H11Cl2NO2/c15-10-1-5-12(6-2-10)17-14(18)9-19-13-7-3-11(16)4-8-13/h1-8H,9H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.2496 kcal/mol

Physical Properties
Molecular Weight: 296.153 g/mol	logS: -4.90027	SlogP: 4.0109	Reactive groups: 0

Topological Properties
Globularity: 0.0133024	Sterimol/B1: 2.097	Sterimol/B2: 2.98025	Sterimol/B3: 3.00497
Sterimol/B4: 4.61545	Sterimol/L: 18.7466

Surface and Volume Properties
Accessible surface: 522.073	Positive charged surface: 226.336	Negative charged surface: 295.737	Volume: 254.875
Hydrophobic surface: 468.187	Hydrophilic surface: 53.886

Pharmacophoric Properties
Hydrogen bond donors: 1	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.