MMsINC Database Search


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MMsINC code: MMs03004846

Type: Neutral
Formula: C₁₆H₂₀FNO₂

SMILES:

Fc1ccc(NC(=O)CC2CC(C(=O)C)C2(C)C)cc1

InChI:

InChI=1/C16H20FNO2/c1-10(19)14-8-11(16(14,2)3)9-15(20)18-13-6-4-12(17)5-7-13/h4-7,11,14H,8-9H2,1-3H3,(H,18,20)/t11-,14+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.5598 kcal/mol

Physical Properties
Molecular Weight: 277.339 g/mol	logS: -3.51821	SlogP: 3.4056	Reactive groups: 0

Topological Properties
Globularity: 0.0640572	Sterimol/B1: 2.46203	Sterimol/B2: 2.99382	Sterimol/B3: 4.35854
Sterimol/B4: 5.8395	Sterimol/L: 16.272

Surface and Volume Properties
Accessible surface: 514.703	Positive charged surface: 273.85	Negative charged surface: 185.817	Volume: 272.5
Hydrophobic surface: 425.649	Hydrophilic surface: 89.054

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.