MMsINC Database Search


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MMsINC code: MMs02658692

Type: Neutral
Formula: C₁₀H₁₂FNO

SMILES:

FC(C(=O)N(C)C)c1ccccc1

InChI:

InChI=1/C10H12FNO/c1-12(2)10(13)9(11)8-6-4-3-5-7-8/h3-7,9H,1-2H3/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.3868 kcal/mol

Physical Properties
Molecular Weight: 181.21 g/mol	logS: -1.74871	SlogP: 1.8809	Reactive groups: 0

Topological Properties
Globularity: 0.100423	Sterimol/B1: 2.41058	Sterimol/B2: 2.55944	Sterimol/B3: 4.65658
Sterimol/B4: 4.70474	Sterimol/L: 11.9355

Surface and Volume Properties
Accessible surface: 382.743	Positive charged surface: 249.233	Negative charged surface: 133.51	Volume: 179.25
Hydrophobic surface: 327.165	Hydrophilic surface: 55.578

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.