MMsINC Database Search


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MMsINC code: MMs02222066

Type: Neutral
Formula: C₁₀H₇ClF₆O

SMILES:

Clc1ccc(cc1C(O)(C(F)(F)F)C(F)(F)F)C

InChI:

InChI=1/C10H7ClF6O/c1-5-2-3-7(11)6(4-5)8(18,9(12,13)14)10(15,16)17/h2-4,18H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.5867 kcal/mol

Physical Properties
Molecular Weight: 292.606 g/mol	logS: -4.53009	SlogP: 5.11192	Reactive groups: 0

Topological Properties
Globularity: 0.159642	Sterimol/B1: 2.46953	Sterimol/B2: 3.51564	Sterimol/B3: 3.59955
Sterimol/B4: 6.2315	Sterimol/L: 10.7182

Surface and Volume Properties
Accessible surface: 394.205	Positive charged surface: 126.035	Negative charged surface: 268.17	Volume: 198.375
Hydrophobic surface: 210.887	Hydrophilic surface: 183.318

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.