MMsINC Database Search


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MMsINC code: MMs02704694

Type: Neutral
Formula: C₂₀H₁₆ClFO₂

SMILES:

Clc1cccc(F)c1COc1ccc(OCc2ccccc2)cc1

InChI:

InChI=1/C20H16ClFO2/c21-19-7-4-8-20(22)18(19)14-24-17-11-9-16(10-12-17)23-13-15-5-2-1-3-6-15/h1-12H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5308 kcal/mol

Physical Properties
Molecular Weight: 342.797 g/mol	logS: -6.05071	SlogP: 6.1699	Reactive groups: 0

Topological Properties
Globularity: 0.0354272	Sterimol/B1: 2.90465	Sterimol/B2: 3.87636	Sterimol/B3: 4.33838
Sterimol/B4: 4.73388	Sterimol/L: 20.3688

Surface and Volume Properties
Accessible surface: 611.342	Positive charged surface: 299.865	Negative charged surface: 311.478	Volume: 316.5
Hydrophobic surface: 592.515	Hydrophilic surface: 18.827

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.