MMsINC Database Search


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MMsINC code: MMs01293301

Type: Neutral
Formula: C₁₅H₈Cl₂F₆O₂

SMILES:

Clc1cc(ccc1O)C(C(F)(F)F)(C(F)(F)F)c1cc(Cl)c(O)cc1

InChI:

InChI=1/C15H8Cl2F6O2/c16-9-5-7(1-3-11(9)24)13(14(18,19)20,15(21,22)23)8-2-4-12(25)10(17)6-8/h1-6,24-25H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.86 kcal/mol

Physical Properties
Molecular Weight: 405.121 g/mol	logS: -5.84759	SlogP: 6.6551	Reactive groups: 0

Topological Properties
Globularity: 0.245946	Sterimol/B1: 3.05157	Sterimol/B2: 3.87737	Sterimol/B3: 5.10464
Sterimol/B4: 5.31691	Sterimol/L: 13.1262

Surface and Volume Properties
Accessible surface: 510.265	Positive charged surface: 158.24	Negative charged surface: 352.025	Volume: 280.125
Hydrophobic surface: 281.592	Hydrophilic surface: 228.673

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.