MMsINC Database Search


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MMsINC code: MMs00048813

Type: Neutral
Formula: C₇H₆ClFO

SMILES:

Clc1cc(OC)cc(F)c1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.1489 kcal/mol

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

Topological Properties
Globularity: 0.0223342	Sterimol/B1: 2.37448	Sterimol/B2: 2.37591	Sterimol/B3: 3.8684
Sterimol/B4: 5.18472	Sterimol/L: 9.8393

Surface and Volume Properties
Accessible surface: 320.831	Positive charged surface: 158.293	Negative charged surface: 162.538	Volume: 135.625
Hydrophobic surface: 310.649	Hydrophilic surface: 10.182

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.