MMsINC Database Search


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MMsINC code: MMs02165711

Type: Neutral
Formula: C₁₅H₈ClF₇O

SMILES:

Clc1cccc(F)c1C(O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI:

InChI=1/C15H8ClF7O/c16-10-2-1-3-11(17)12(10)13(24)7-4-8(14(18,19)20)6-9(5-7)15(21,22)23/h1-6,13,24H/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.5021 kcal/mol

Physical Properties
Molecular Weight: 372.667 g/mol	logS: -6.06617	SlogP: 6.3169	Reactive groups: 0

Topological Properties
Globularity: 0.166648	Sterimol/B1: 2.20104	Sterimol/B2: 4.61825	Sterimol/B3: 5.11259
Sterimol/B4: 5.51681	Sterimol/L: 12.1956

Surface and Volume Properties
Accessible surface: 497.167	Positive charged surface: 121.974	Negative charged surface: 375.193	Volume: 264.625
Hydrophobic surface: 254.874	Hydrophilic surface: 242.293

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.