MMsINC Database Search


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MMsINC code: MMs00020990

Type: Neutral
Formula: C₇H₆ClFO

SMILES:

Clc1cc(F)ccc1OC

InChI:

InChI=1/C7H6ClFO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.4182 kcal/mol

Physical Properties
Molecular Weight: 160.575 g/mol	logS: -2.46453	SlogP: 2.4877	Reactive groups: 0

Topological Properties
Globularity: 0.0223106	Sterimol/B1: 2.37348	Sterimol/B2: 2.37691	Sterimol/B3: 3.9616
Sterimol/B4: 5.08838	Sterimol/L: 10.1092

Surface and Volume Properties
Accessible surface: 320.636	Positive charged surface: 163.77	Negative charged surface: 156.866	Volume: 136.125
Hydrophobic surface: 315.005	Hydrophilic surface: 5.631

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.