MMsINC Database Search


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MMsINC code: MMs03801789

Type: Neutral
Formula: C₁₃H₁₀ClNO₂

SMILES:

Clc1cc(NC(=O)c2ccccc2O)ccc1

InChI:

InChI=1/C13H10ClNO2/c14-9-4-3-5-10(8-9)15-13(17)11-6-1-2-7-12(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)=67.2906 kcal/mol

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

Topological Properties
Globularity: 0.0269969	Sterimol/B1: 2.48188	Sterimol/B2: 2.81274	Sterimol/B3: 3.13239
Sterimol/B4: 6.11475	Sterimol/L: 14.223

Surface and Volume Properties
Accessible surface: 449.991	Positive charged surface: 216.136	Negative charged surface: 233.855	Volume: 222.75
Hydrophobic surface: 377.577	Hydrophilic surface: 72.414

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.