MMsINC Database Search


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MMsINC code: MMs01974698

Type: Neutral
Formula: C₁₃H₁₀ClNO₂

SMILES:

Clc1ccc(NC(=O)c2ccc(O)cc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.3499 kcal/mol

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

Topological Properties
Globularity: 0.0179009	Sterimol/B1: 2.097	Sterimol/B2: 2.45899	Sterimol/B3: 3.069
Sterimol/B4: 5.00114	Sterimol/L: 16.017

Surface and Volume Properties
Accessible surface: 459.218	Positive charged surface: 214.688	Negative charged surface: 244.53	Volume: 220.625
Hydrophobic surface: 370.625	Hydrophilic surface: 88.593

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.