MMsINC Database Search


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MMsINC code: MMs00618539

Type: Neutral
Formula: C₁₄H₂₀FNO

SMILES:

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

InChI:

InChI=1/C14H20FNO/c1-9(2)13(10(3)4)16-14(17)11-5-7-12(15)8-6-11/h5-10,13H,1-4H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.2566 kcal/mol

Physical Properties
Molecular Weight: 237.318 g/mol	logS: -3.28749	SlogP: 3.2361	Reactive groups: 0

Topological Properties
Globularity: 0.14871	Sterimol/B1: 2.40969	Sterimol/B2: 3.14208	Sterimol/B3: 4.03222
Sterimol/B4: 7.23877	Sterimol/L: 13.6451

Surface and Volume Properties
Accessible surface: 463.988	Positive charged surface: 273.133	Negative charged surface: 190.855	Volume: 246.875
Hydrophobic surface: 371.014	Hydrophilic surface: 92.974

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.