MMsINC Database Search


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MMsINC code: MMs00601173

Type: Neutral
Formula: C₁₁H₁₃FN₂O₂

SMILES:

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

InChI:

InChI=1/C11H13FN2O2/c1-7(15)13-11(14-8(2)16)9-3-5-10(12)6-4-9/h3-6,11H,1-2H3,(H,13,15)(H,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=2.7544 kcal/mol

Physical Properties
Molecular Weight: 224.235 g/mol	logS: -1.89401	SlogP: 1.192	Reactive groups: 0

Topological Properties
Globularity: 0.0775913	Sterimol/B1: 2.20054	Sterimol/B2: 2.42802	Sterimol/B3: 3.50057
Sterimol/B4: 8.50393	Sterimol/L: 11.3882

Surface and Volume Properties
Accessible surface: 436.541	Positive charged surface: 237.103	Negative charged surface: 199.438	Volume: 207.25
Hydrophobic surface: 350.516	Hydrophilic surface: 86.025

Pharmacophoric Properties
Hydrogen bond donors: 2	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

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Ions/Tautomers related molecules: no related molecules available.