MMsINC Database Search


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MMsINC code: MMs02371315

Type: Neutral
Formula: C₁₃H₁₀ClNO₂

SMILES:

Clc1ccc(NC(=O)c2ccccc2O)cc1

InChI:

InChI=1/C13H10ClNO2/c14-9-5-7-10(8-6-9)15-13(17)11-3-1-2-4-12(11)16/h1-8,16H,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.5292 kcal/mol

Physical Properties
Molecular Weight: 247.681 g/mol	logS: -3.72721	SlogP: 3.2979	Reactive groups: 0

Topological Properties
Globularity: 0.0145958	Sterimol/B1: 2.29209	Sterimol/B2: 2.4808	Sterimol/B3: 2.7643
Sterimol/B4: 5.70898	Sterimol/L: 15.4206

Surface and Volume Properties
Accessible surface: 451.624	Positive charged surface: 216.082	Negative charged surface: 235.542	Volume: 223.375
Hydrophobic surface: 378.816	Hydrophilic surface: 72.808

Pharmacophoric Properties
Hydrogen bond donors: 2	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.