MMsINC Database Search


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MMsINC code: MMs00051736

Type: Neutral
Formula: C₇H₆ClFO

SMILES:

Clc1cc(CO)c(F)cc1

InChI:

InChI=1/C7H6ClFO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.8988 kcal/mol

Physical Properties
Molecular Weight: 160.575 g/mol	logS: -2.18517	SlogP: 2.2378	Reactive groups: 0

Topological Properties
Globularity: 0.023981	Sterimol/B1: 2.37335	Sterimol/B2: 2.37674	Sterimol/B3: 4.11812
Sterimol/B4: 4.74967	Sterimol/L: 9.69188

Surface and Volume Properties
Accessible surface: 317.303	Positive charged surface: 149.105	Negative charged surface: 168.198	Volume: 135
Hydrophobic surface: 262.289	Hydrophilic surface: 55.014

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.