MMsINC Database Search


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MMsINC code: MMs01660328

Type: Neutral
Formula: C₁₅H₁₂FNO₂

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccccc1C(=O)C

InChI:

InChI=1/C15H12FNO2/c1-10(18)13-4-2-3-5-14(13)17-15(19)11-6-8-12(16)9-7-11/h2-9H,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.9922 kcal/mol

Physical Properties
Molecular Weight: 257.264 g/mol	logS: -3.96212	SlogP: 3.2806	Reactive groups: 0

Topological Properties
Globularity: 0.0326008	Sterimol/B1: 2.28292	Sterimol/B2: 2.30756	Sterimol/B3: 3.12461
Sterimol/B4: 7.63128	Sterimol/L: 14.1791

Surface and Volume Properties
Accessible surface: 462.627	Positive charged surface: 239.517	Negative charged surface: 223.11	Volume: 238.5
Hydrophobic surface: 403.048	Hydrophilic surface: 59.579

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.