MMsINC Database Search


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MMsINC code: MMs00090127

Type: Neutral
Formula: C₁₉H₁₄FNO

SMILES:

Fc1cc(ccc1)C1CC(=O)Nc2c1ccc1c2cccc1

InChI:

InChI=1/C19H14FNO/c20-14-6-3-5-13(10-14)17-11-18(22)21-19-15-7-2-1-4-12(15)8-9-16(17)19/h1-10,17H,11H2,(H,21,22)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.3294 kcal/mol

Physical Properties
Molecular Weight: 291.325 g/mol	logS: -5.46808	SlogP: 4.453	Reactive groups: 0

Topological Properties
Globularity: 0.204799	Sterimol/B1: 3.4179	Sterimol/B2: 4.39683	Sterimol/B3: 5.17693
Sterimol/B4: 5.47416	Sterimol/L: 13.723

Surface and Volume Properties
Accessible surface: 499.273	Positive charged surface: 245.952	Negative charged surface: 242.25	Volume: 272.75
Hydrophobic surface: 445.565	Hydrophilic surface: 53.708

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.