MMsINC Database Search


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MMsINC code: MMs03262418

Type: Neutral
Formula: C₉H₁₀FNO

SMILES:

Fc1ccccc1NC(=O)CC

InChI:

InChI=1/C9H10FNO/c1-2-9(12)11-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H,11,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.109 kcal/mol

Physical Properties
Molecular Weight: 167.183 g/mol	logS: -2.09108	SlogP: 2.1742	Reactive groups: 0

Topological Properties
Globularity: 0.033636	Sterimol/B1: 2.52695	Sterimol/B2: 3.02049	Sterimol/B3: 3.44746
Sterimol/B4: 4.59368	Sterimol/L: 12.3368

Surface and Volume Properties
Accessible surface: 360.097	Positive charged surface: 216.159	Negative charged surface: 143.938	Volume: 162
Hydrophobic surface: 298.61	Hydrophilic surface: 61.487

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.