MMsINC Database Search


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MMsINC code: MMs01303182

Type: Neutral
Formula: C₁₅H₁₄FNO

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccc(cc1)CC

InChI:

InChI=1/C15H14FNO/c1-2-11-3-9-14(10-4-11)17-15(18)12-5-7-13(16)8-6-12/h3-10H,2H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.7179 kcal/mol

Physical Properties
Molecular Weight: 243.281 g/mol	logS: -4.63899	SlogP: 3.64037	Reactive groups: 0

Topological Properties
Globularity: 0.0270919	Sterimol/B1: 2.30793	Sterimol/B2: 3.70502	Sterimol/B3: 3.7283
Sterimol/B4: 3.79855	Sterimol/L: 16.6561

Surface and Volume Properties
Accessible surface: 479.875	Positive charged surface: 262.654	Negative charged surface: 217.221	Volume: 239.25
Hydrophobic surface: 416.568	Hydrophilic surface: 63.307

Pharmacophoric Properties
Hydrogen bond donors: 1	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.