MMsINC Database Search


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MMsINC code: MMs02270867

Type: Neutral
Formula: C₁₂H₁₂Cl₂F₄O₂

SMILES:

ClC(F)(F)C(O)(C(C(O)c1ccccc1)C)C(Cl)(F)F

InChI:

InChI=1/C12H12Cl2F4O2/c1-7(9(19)8-5-3-2-4-6-8)10(20,11(13,15)16)12(14,17)18/h2-7,9,19-20H,1H3/t7-,9+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.437 kcal/mol

Physical Properties
Molecular Weight: 335.124 g/mol	logS: -4.40606	SlogP: 4.6857	Reactive groups: 0

Topological Properties
Globularity: 0.167566	Sterimol/B1: 2.67732	Sterimol/B2: 3.13236	Sterimol/B3: 4.56518
Sterimol/B4: 5.12704	Sterimol/L: 13.1014

Surface and Volume Properties
Accessible surface: 436.724	Positive charged surface: 145.768	Negative charged surface: 290.956	Volume: 245.125
Hydrophobic surface: 192.704	Hydrophilic surface: 244.02

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.