MMsINC Database Search


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MMsINC code: MMs00606254

Type: Neutral
Formula: C₁₅H₁₂ClF₂NO₂

SMILES:

Clc1cc(ccc1OCC)C(=O)Nc1ccc(F)cc1F

InChI:

InChI=1/C15H12ClF2NO2/c1-2-21-14-6-3-9(7-11(14)16)15(20)19-13-5-4-10(17)8-12(13)18/h3-8H,2H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.8144 kcal/mol

Physical Properties
Molecular Weight: 311.715 g/mol	logS: -5.05671	SlogP: 4.2692	Reactive groups: 0

Topological Properties
Globularity: 0.0125279	Sterimol/B1: 2.55993	Sterimol/B2: 2.80871	Sterimol/B3: 3.82639
Sterimol/B4: 4.96183	Sterimol/L: 17.7855

Surface and Volume Properties
Accessible surface: 531.422	Positive charged surface: 257.19	Negative charged surface: 274.232	Volume: 263
Hydrophobic surface: 469.346	Hydrophilic surface: 62.076

Pharmacophoric Properties
Hydrogen bond donors: 1	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.