MMsINC Database Search


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MMsINC code: MMs00611828

Type: Neutral
Formula: C₁₈H₂₀FNO

SMILES:

Fc1cc(ccc1)C(=O)NC(CC(C)C)c1ccccc1

InChI:

InChI=1/C18H20FNO/c1-13(2)11-17(14-7-4-3-5-8-14)20-18(21)15-9-6-10-16(19)12-15/h3-10,12-13,17H,11H2,1-2H3,(H,20,21)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.1918 kcal/mol

Physical Properties
Molecular Weight: 285.362 g/mol	logS: -5.15331	SlogP: 4.4384	Reactive groups: 0

Topological Properties
Globularity: 0.140068	Sterimol/B1: 2.54893	Sterimol/B2: 2.62178	Sterimol/B3: 4.92219
Sterimol/B4: 8.07285	Sterimol/L: 14.0906

Surface and Volume Properties
Accessible surface: 538.627	Positive charged surface: 301.429	Negative charged surface: 237.198	Volume: 289.375
Hydrophobic surface: 484.868	Hydrophilic surface: 53.759

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.