MMsINC Database Search


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MMsINC code: MMs00636058

Type: Neutral
Formula: C₁₉H₂₀FNO

SMILES:

Fc1ccc(cc1)C(=O)NC(C)c1cc2CCCCc2cc1

InChI:

InChI=1/C19H20FNO/c1-13(21-19(22)15-8-10-18(20)11-9-15)16-7-6-14-4-2-3-5-17(14)12-16/h6-13H,2-5H2,1H3,(H,21,22)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.8273 kcal/mol

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

Topological Properties
Globularity: 0.0710599	Sterimol/B1: 2.15112	Sterimol/B2: 2.32333	Sterimol/B3: 5.2877
Sterimol/B4: 6.79953	Sterimol/L: 16.62

Surface and Volume Properties
Accessible surface: 557.429	Positive charged surface: 331.601	Negative charged surface: 225.828	Volume: 297.75
Hydrophobic surface: 502.883	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.