MMsINC Database Search


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MMsINC code: MMs00022938

Type: Neutral
Formula: C₇H₆ClFO

SMILES:

Clc1ccc(F)cc1CO

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.0546 kcal/mol

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

Topological Properties
Globularity: 0.0241953	Sterimol/B1: 2.37395	Sterimol/B2: 2.37614	Sterimol/B3: 3.84754
Sterimol/B4: 5.06349	Sterimol/L: 9.70493

Surface and Volume Properties
Accessible surface: 312.942	Positive charged surface: 147.202	Negative charged surface: 165.741	Volume: 133
Hydrophobic surface: 259.06	Hydrophilic surface: 53.882

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.