MMsINC Database Search


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

MMsINC code: MMs00113318

Type: Neutral
Formula: C₁₅H₁₄FNO₂

SMILES:

Fc1cc(ccc1)C(=O)NCc1ccccc1OC

InChI:

InChI=1/C15H14FNO2/c1-19-14-8-3-2-5-12(14)10-17-15(18)11-6-4-7-13(16)9-11/h2-9H,10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.7249 kcal/mol

Physical Properties
Molecular Weight: 259.28 g/mol	logS: -3.64427	SlogP: 3.0307	Reactive groups: 0

Topological Properties
Globularity: 0.13674	Sterimol/B1: 2.22992	Sterimol/B2: 3.08026	Sterimol/B3: 5.23942
Sterimol/B4: 7.09026	Sterimol/L: 14.2931

Surface and Volume Properties
Accessible surface: 497.705	Positive charged surface: 296.572	Negative charged surface: 201.133	Volume: 246.75
Hydrophobic surface: 450.052	Hydrophilic surface: 47.653

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.