MMsINC Database Search


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MMsINC code: MMs00060764

Type: Neutral
Formula: C₁₅H₈ClFO₂

SMILES:

Clc1cc2c(OC(=CC2=O)c2cc(F)ccc2)cc1

InChI:

InChI=1/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.3928 kcal/mol

Physical Properties
Molecular Weight: 274.678 g/mol	logS: -5.57776	SlogP: 4.0953	Reactive groups: 1

Topological Properties
Globularity: 3.58602e-07	Sterimol/B1: 2.09748	Sterimol/B2: 2.10206	Sterimol/B3: 2.55736
Sterimol/B4: 6.35859	Sterimol/L: 15.4237

Surface and Volume Properties
Accessible surface: 460.03	Positive charged surface: 183.431	Negative charged surface: 276.6	Volume: 234.125
Hydrophobic surface: 416.899	Hydrophilic surface: 43.131

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.