MMsINC Database Search


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MMsINC code: MMs02521589

Type: Neutral
Formula: C₁₆H₂₂FNO

SMILES:

Fc1cc2CCC(N(c2cc1)C(=O)C(CC)CC)C

InChI:

InChI=1/C16H22FNO/c1-4-12(5-2)16(19)18-11(3)6-7-13-10-14(17)8-9-15(13)18/h8-12H,4-7H2,1-3H3/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=212.439 kcal/mol

Physical Properties
Molecular Weight: 263.356 g/mol	logS: -3.93015	SlogP: 3.92957	Reactive groups: 0

Topological Properties
Globularity: 0.217481	Sterimol/B1: 2.22369	Sterimol/B2: 5.18914	Sterimol/B3: 5.80093
Sterimol/B4: 6.21139	Sterimol/L: 11.6863

Surface and Volume Properties
Accessible surface: 468.178	Positive charged surface: 309.573	Negative charged surface: 158.604	Volume: 263.875
Hydrophobic surface: 403.911	Hydrophilic surface: 64.267

Pharmacophoric Properties
Hydrogen bond donors: 0	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.