MMsINC Database Search


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MMsINC code: MMs00654563

Type: Neutral
Formula: C₁₃H₁₆FNO₂

SMILES:

Fc1ccccc1C(=O)NC(C)C1OCCC1

InChI:

InChI=1/C13H16FNO2/c1-9(12-7-4-8-17-12)15-13(16)10-5-2-3-6-11(10)14/h2-3,5-6,9,12H,4,7-8H2,1H3,(H,15,16)/t9-,12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.3333 kcal/mol

Physical Properties
Molecular Weight: 237.274 g/mol	logS: -2.84822	SlogP: 2.123	Reactive groups: 0

Topological Properties
Globularity: 0.104324	Sterimol/B1: 2.16227	Sterimol/B2: 2.40431	Sterimol/B3: 4.63973
Sterimol/B4: 6.52074	Sterimol/L: 12.8654

Surface and Volume Properties
Accessible surface: 445.565	Positive charged surface: 285.75	Negative charged surface: 159.815	Volume: 229.75
Hydrophobic surface: 391.995	Hydrophilic surface: 53.57

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.