MMsINC Database Search


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MMsINC code: MMs02675097

Type: Neutral
Formula: C₁₅H₁₂ClF₂NO₂

SMILES:

Clc1cc(C)c(OC(=O)Nc2cc(F)ccc2F)cc1C

InChI:

InChI=1/C15H12ClF2NO2/c1-8-6-14(9(2)5-11(8)16)21-15(20)19-13-7-10(17)3-4-12(13)18/h3-7H,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.921 kcal/mol

Physical Properties
Molecular Weight: 311.715 g/mol	logS: -5.04131	SlogP: 4.84594	Reactive groups: 0

Topological Properties
Globularity: 0.0858186	Sterimol/B1: 2.34186	Sterimol/B2: 3.15512	Sterimol/B3: 4.03626
Sterimol/B4: 7.05787	Sterimol/L: 15.3847

Surface and Volume Properties
Accessible surface: 516.78	Positive charged surface: 245.367	Negative charged surface: 271.413	Volume: 264.125
Hydrophobic surface: 474.364	Hydrophilic surface: 42.416

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.