MMsINC Database Search


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MMsINC code: MMs00614394

Type: Neutral
Formula: C₁₄H₁₁Cl₂NO₂

SMILES:

Clc1cc(NC(=O)c2ccc(Cl)cc2)ccc1OC

InChI:

InChI=1/C14H11Cl2NO2/c1-19-13-7-6-11(8-12(13)16)17-14(18)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.9116 kcal/mol

Physical Properties
Molecular Weight: 296.153 g/mol	logS: -4.87383	SlogP: 4.2543	Reactive groups: 0

Topological Properties
Globularity: 0.0158288	Sterimol/B1: 2.50867	Sterimol/B2: 3.25585	Sterimol/B3: 3.47212
Sterimol/B4: 5.33188	Sterimol/L: 17.6079

Surface and Volume Properties
Accessible surface: 505.199	Positive charged surface: 237.796	Negative charged surface: 267.402	Volume: 256.625
Hydrophobic surface: 462.48	Hydrophilic surface: 42.719

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.