MMsINC Database Search


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MMsINC code: MMs00134745

Type: Neutral
Formula: C₁₇H₁₇FN₂O₄

SMILES:

Fc1cc(ccc1)C(=O)Nc1cc(OC)c(NC(=O)C)cc1OC

InChI:

InChI=1/C17H17FN2O4/c1-10(21)19-13-8-16(24-3)14(9-15(13)23-2)20-17(22)11-5-4-6-12(18)7-11/h4-9H,1-3H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.818 kcal/mol

Physical Properties
Molecular Weight: 332.331 g/mol	logS: -3.96006	SlogP: 3.0536	Reactive groups: 0

Topological Properties
Globularity: 0.0292908	Sterimol/B1: 2.24519	Sterimol/B2: 3.62362	Sterimol/B3: 5.95246
Sterimol/B4: 6.16371	Sterimol/L: 17.2933

Surface and Volume Properties
Accessible surface: 576.849	Positive charged surface: 386.773	Negative charged surface: 190.076	Volume: 299.375
Hydrophobic surface: 488.202	Hydrophilic surface: 88.647

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.