MMsINC Database Search


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

MMsINC code: MMs01227234

Type: Neutral
Formula: C₁₃H₁₅FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)NC(=O)NC(C)C1CC1

InChI:

InChI=1/C13H15FN2O2/c1-8(9-2-3-9)15-13(18)16-12(17)10-4-6-11(14)7-5-10/h4-9H,2-3H2,1H3,(H2,15,16,17,18)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.7947 kcal/mol

Physical Properties
Molecular Weight: 250.273 g/mol	logS: -3.01044	SlogP: 2.0636	Reactive groups: 0

Topological Properties
Globularity: 0.0348087	Sterimol/B1: 2.21192	Sterimol/B2: 2.88796	Sterimol/B3: 4.39685
Sterimol/B4: 5.07261	Sterimol/L: 15.8099

Surface and Volume Properties
Accessible surface: 477.504	Positive charged surface: 269.896	Negative charged surface: 207.608	Volume: 236.625
Hydrophobic surface: 327.818	Hydrophilic surface: 149.686

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.