MMsINC Database Search


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MMsINC code: MMs02871926

Type: Neutral
Formula: C₁₂H₁₀Cl₂F₆N₂O

SMILES:

Clc1ccc(Cl)cc1NC(=O)NC(CC)(C(F)(F)F)C(F)(F)F

InChI:

InChI=1/C12H10Cl2F6N2O/c1-2-10(11(15,16)17,12(18,19)20)22-9(23)21-8-5-6(13)3-4-7(8)14/h3-5H,2H2,1H3,(H2,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67 kcal/mol

Physical Properties
Molecular Weight: 383.119 g/mol	logS: -5.59173	SlogP: 6.2281	Reactive groups: 0

Topological Properties
Globularity: 0.113881	Sterimol/B1: 2.14132	Sterimol/B2: 3.34166	Sterimol/B3: 5.04446
Sterimol/B4: 6.72761	Sterimol/L: 13.6418

Surface and Volume Properties
Accessible surface: 502.726	Positive charged surface: 152.014	Negative charged surface: 350.711	Volume: 265.875
Hydrophobic surface: 302.475	Hydrophilic surface: 200.251

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.