MMsINC Database Search


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MMsINC code: MMs00752745

Type: Neutral
Formula: C₁₆H₁₂FNO₂

SMILES:

Fc1cc2c(cc1)C(=O)N(C2=O)c1cc(C)c(cc1)C

InChI:

InChI=1/C16H12FNO2/c1-9-3-5-12(7-10(9)2)18-15(19)13-6-4-11(17)8-14(13)16(18)20/h3-8H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0642 kcal/mol

Physical Properties
Molecular Weight: 269.275 g/mol	logS: -5.00141	SlogP: 3.24314	Reactive groups: 0

Topological Properties
Globularity: 0.00722309	Sterimol/B1: 2.10332	Sterimol/B2: 2.51235	Sterimol/B3: 3.46895
Sterimol/B4: 4.90938	Sterimol/L: 14.7355

Surface and Volume Properties
Accessible surface: 474.652	Positive charged surface: 238.457	Negative charged surface: 236.195	Volume: 246.625
Hydrophobic surface: 405.006	Hydrophilic surface: 69.646

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.