MMsINC Database Search


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MMsINC code: MMs00625741

Type: Neutral
Formula: C₁₉H₂₀FNO

SMILES:

Fc1cc(ccc1)C(=O)NC(C)c1cc2CCCCc2cc1

InChI:

InChI=1/C19H20FNO/c1-13(21-19(22)17-7-4-8-18(20)12-17)15-10-9-14-5-2-3-6-16(14)11-15/h4,7-13H,2-3,5-6H2,1H3,(H,21,22)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.7241 kcal/mol

Physical Properties
Molecular Weight: 297.373 g/mol	logS: -5.79734	SlogP: 4.29094	Reactive groups: 0

Topological Properties
Globularity: 0.0713934	Sterimol/B1: 2.15091	Sterimol/B2: 2.31735	Sterimol/B3: 5.3088
Sterimol/B4: 7.06045	Sterimol/L: 16.5832

Surface and Volume Properties
Accessible surface: 559.492	Positive charged surface: 333.088	Negative charged surface: 226.405	Volume: 298.625
Hydrophobic surface: 504.946	Hydrophilic surface: 54.546

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.