MMsINC Database Search


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MMsINC code: MMs01264635

Type: Neutral
Formula: C₁₇H₁₇FN₂O₃

SMILES:

Fc1ccc(cc1)CNC(=O)CNC(=O)c1ccccc1OC

InChI:

InChI=1/C17H17FN2O3/c1-23-15-5-3-2-4-14(15)17(22)20-11-16(21)19-10-12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.2889 kcal/mol

Physical Properties
Molecular Weight: 316.332 g/mol	logS: -3.81684	SlogP: 2.1469	Reactive groups: 0

Topological Properties
Globularity: 0.0291603	Sterimol/B1: 2.56261	Sterimol/B2: 3.61878	Sterimol/B3: 3.61985
Sterimol/B4: 7.37275	Sterimol/L: 18.5338

Surface and Volume Properties
Accessible surface: 589.187	Positive charged surface: 370.327	Negative charged surface: 218.86	Volume: 295.375
Hydrophobic surface: 490.533	Hydrophilic surface: 98.654

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.