MMsINC Database Search


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MMsINC code: MMs02990632

Type: Neutral
Formula: C₁₄H₁₂ClNO₂

SMILES:

Clc1cc(NC(=O)c2ccccc2C)ccc1O

InChI:

InChI=1/C14H12ClNO2/c1-9-4-2-3-5-11(9)14(18)16-10-6-7-13(17)12(15)8-10/h2-8,17H,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.7002 kcal/mol

Physical Properties
Molecular Weight: 261.708 g/mol	logS: -4.20113	SlogP: 3.60632	Reactive groups: 0

Topological Properties
Globularity: 0.0170639	Sterimol/B1: 2.48304	Sterimol/B2: 2.53787	Sterimol/B3: 3.07038
Sterimol/B4: 6.59028	Sterimol/L: 14.7904

Surface and Volume Properties
Accessible surface: 470.351	Positive charged surface: 237.618	Negative charged surface: 232.733	Volume: 237.75
Hydrophobic surface: 398.242	Hydrophilic surface: 72.109

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.