MMsINC Database Search


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MMsINC code: MMs00531919

Type: Neutral
Formula: C₁₀H₇ClF₆O₂

SMILES:

Clc1cc(C(O)(C(F)(F)F)C(F)(F)F)c(cc1O)C

InChI:

InChI=1/C10H7ClF6O2/c1-4-2-7(18)6(11)3-5(4)8(19,9(12,13)14)10(15,16)17/h2-3,18-19H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.12 kcal/mol

Physical Properties
Molecular Weight: 308.605 g/mol	logS: -4.16814	SlogP: 4.81752	Reactive groups: 0

Topological Properties
Globularity: 0.171033	Sterimol/B1: 2.15374	Sterimol/B2: 3.23546	Sterimol/B3: 3.84723
Sterimol/B4: 7.34983	Sterimol/L: 10.8801

Surface and Volume Properties
Accessible surface: 403.249	Positive charged surface: 124.285	Negative charged surface: 278.964	Volume: 204
Hydrophobic surface: 178.067	Hydrophilic surface: 225.182

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.