MMsINC Database Search


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MMsINC code: MMs00590687

Type: Neutral
Formula: C₁₅H₁₂FNO

SMILES:

Fc1ccc(NC(=O)\C=C\c2ccccc2)cc1

InChI:

InChI=1/C15H12FNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h1-11H,(H,17,18)/b11-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.5451 kcal/mol

Physical Properties
Molecular Weight: 241.265 g/mol	logS: -4.15567	SlogP: 3.4776	Reactive groups: 0

Topological Properties
Globularity: 0.0093654	Sterimol/B1: 2.57166	Sterimol/B2: 2.59914	Sterimol/B3: 3.45538
Sterimol/B4: 4.19513	Sterimol/L: 16.7582

Surface and Volume Properties
Accessible surface: 482.198	Positive charged surface: 238.593	Negative charged surface: 243.604	Volume: 232.5
Hydrophobic surface: 436.831	Hydrophilic surface: 45.367

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.