MMsINC Database Search


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MMsINC code: MMs00051808

Type: Neutral
Formula: C₇H₆ClFO

SMILES:

Clc1cccc(OC)c1F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.0161 kcal/mol

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

Topological Properties
Globularity: 0.0217682	Sterimol/B1: 2.37435	Sterimol/B2: 2.37574	Sterimol/B3: 3.96128
Sterimol/B4: 4.19836	Sterimol/L: 10.6175

Surface and Volume Properties
Accessible surface: 319.802	Positive charged surface: 163.043	Negative charged surface: 156.76	Volume: 137.5
Hydrophobic surface: 310.669	Hydrophilic surface: 9.133

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.