MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02931346

Type: Neutral
Formula: C₁₁H₁₄FNO₂

SMILES:

Fc1ccc(cc1)C(=O)NC(COC)C

InChI:

InChI=1/C11H14FNO2/c1-8(7-15-2)13-11(14)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.7359 kcal/mol

Physical Properties
Molecular Weight: 211.236 g/mol	logS: -2.29584	SlogP: 1.5904	Reactive groups: 0

Topological Properties
Globularity: 0.052882	Sterimol/B1: 2.23988	Sterimol/B2: 2.24648	Sterimol/B3: 4.13975
Sterimol/B4: 5.99206	Sterimol/L: 13.54

Surface and Volume Properties
Accessible surface: 440.964	Positive charged surface: 290.991	Negative charged surface: 149.972	Volume: 203.75
Hydrophobic surface: 384.018	Hydrophilic surface: 56.946

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.