MMsINC Database Search


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MMsINC code: MMs00632818

Type: Neutral
Formula: C₁₄H₁₀ClFO₂

SMILES:

Clc1cc(ccc1OCc1ccc(F)cc1)C=O

InChI:

InChI=1/C14H10ClFO2/c15-13-7-11(8-17)3-6-14(13)18-9-10-1-4-12(16)5-2-10/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.9464 kcal/mol

Physical Properties
Molecular Weight: 264.683 g/mol	logS: -4.23854	SlogP: 4.137	Reactive groups: 1

Topological Properties
Globularity: 0.0686979	Sterimol/B1: 2.4199	Sterimol/B2: 3.40247	Sterimol/B3: 4.81969
Sterimol/B4: 5.26247	Sterimol/L: 15.7697

Surface and Volume Properties
Accessible surface: 472.42	Positive charged surface: 222.497	Negative charged surface: 249.923	Volume: 232.5
Hydrophobic surface: 405.52	Hydrophilic surface: 66.9

Pharmacophoric Properties
Hydrogen bond donors: 0	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.