MMsINC Database Search


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MMsINC code: MMs00521138

Type: Neutral
Formula: C₁₉H₂₄FNO

SMILES:

Fc1ccccc1CCC(=O)NC1C2CC3CC1CC(C2)C3

InChI:

InChI=1/C19H24FNO/c20-17-4-2-1-3-14(17)5-6-18(22)21-19-15-8-12-7-13(10-15)11-16(19)9-12/h1-4,12-13,15-16,19H,5-11H2,(H,21,22)/t12-,13+,15-,16+,19-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.907 kcal/mol

Physical Properties
Molecular Weight: 301.405 g/mol	logS: -4.47042	SlogP: 3.69917	Reactive groups: 0

Topological Properties
Globularity: 0.0802742	Sterimol/B1: 2.92111	Sterimol/B2: 3.47149	Sterimol/B3: 4.44048
Sterimol/B4: 4.86364	Sterimol/L: 16.4886

Surface and Volume Properties
Accessible surface: 542.876	Positive charged surface: 371.545	Negative charged surface: 171.33	Volume: 299.25
Hydrophobic surface: 511.594	Hydrophilic surface: 31.282

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.