MMsINC Database Search


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MMsINC code: MMs02849073

Type: Neutral
Formula: C₈H₁₀FNO

SMILES:

Fc1cc(ccc1)C(O)CN

InChI:

InChI=1/C8H10FNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.338 kcal/mol

Physical Properties
Molecular Weight: 155.172 g/mol	logS: -1.14224	SlogP: 0.9133	Reactive groups: 0

Topological Properties
Globularity: 0.0955059	Sterimol/B1: 2.41886	Sterimol/B2: 2.68474	Sterimol/B3: 3.2171
Sterimol/B4: 5.04488	Sterimol/L: 10.9689

Surface and Volume Properties
Accessible surface: 342.136	Positive charged surface: 204.272	Negative charged surface: 137.864	Volume: 149.75
Hydrophobic surface: 234.895	Hydrophilic surface: 107.241

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.