MMsINC Database Search


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MMsINC code: MMs02858917

Type: Neutral
Formula: C₁₀H₁₂FNO

SMILES:

FCC(=O)N(C)c1cc(ccc1)C

InChI:

InChI=1/C10H12FNO/c1-8-4-3-5-9(6-8)12(2)10(13)7-11/h3-6H,7H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.7742 kcal/mol

Physical Properties
Molecular Weight: 181.21 g/mol	logS: -2.27859	SlogP: 1.92732	Reactive groups: 1

Topological Properties
Globularity: 0.118656	Sterimol/B1: 2.45556	Sterimol/B2: 2.83877	Sterimol/B3: 4.11736
Sterimol/B4: 5.81964	Sterimol/L: 11.5831

Surface and Volume Properties
Accessible surface: 382.941	Positive charged surface: 238.504	Negative charged surface: 144.438	Volume: 178.75
Hydrophobic surface: 300.128	Hydrophilic surface: 82.813

Pharmacophoric Properties
Hydrogen bond donors: 0	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.