MMsINC Database Search


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MMsINC code: MMs01618532

Type: Neutral
Formula: C₁₇H₁₇FN₂O₃

SMILES:

Fc1cc(ccc1)C(=O)N(CC(=O)Nc1ccc(OC)cc1)C

InChI:

InChI=1/C17H17FN2O3/c1-20(17(22)12-4-3-5-13(18)10-12)11-16(21)19-14-6-8-15(23-2)9-7-14/h3-10H,11H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.001 kcal/mol

Physical Properties
Molecular Weight: 316.332 g/mol	logS: -3.76681	SlogP: 2.545	Reactive groups: 0

Topological Properties
Globularity: 0.0368268	Sterimol/B1: 2.11307	Sterimol/B2: 2.70856	Sterimol/B3: 4.78509
Sterimol/B4: 6.53333	Sterimol/L: 18.3138

Surface and Volume Properties
Accessible surface: 564.409	Positive charged surface: 359.335	Negative charged surface: 205.075	Volume: 295.75
Hydrophobic surface: 482.013	Hydrophilic surface: 82.396

Pharmacophoric Properties
Hydrogen bond donors: 1	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.