MMsINC Database Search


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MMsINC code: MMs00600497

Type: Neutral
Formula: C₁₅H₁₅ClFNO₂

SMILES:

Clc1cc(NCc2cccc(OCC)c2O)ccc1F

InChI:

InChI=1/C15H15ClFNO2/c1-2-20-14-5-3-4-10(15(14)19)9-18-11-6-7-13(17)12(16)8-11/h3-8,18-19H,2,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.25 kcal/mol

Physical Properties
Molecular Weight: 295.741 g/mol	logS: -3.99415	SlogP: 4.4619	Reactive groups: 0

Topological Properties
Globularity: 0.0611991	Sterimol/B1: 2.35846	Sterimol/B2: 3.92223	Sterimol/B3: 4.02211
Sterimol/B4: 6.56871	Sterimol/L: 16.8531

Surface and Volume Properties
Accessible surface: 534.738	Positive charged surface: 292.781	Negative charged surface: 241.956	Volume: 268.125
Hydrophobic surface: 452.544	Hydrophilic surface: 82.194

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

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Ions/Tautomers related molecules: no related molecules available.