MMsINC Database Search


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MMsINC code: MMs03912472

Type: Neutral
Formula: C₁₇H₁₇FN₂O₄

SMILES:

Fc1ccc(NC(=O)Nc2ccc(cc2)C(OCC(O)C)=O)cc1

InChI:

InChI=1/C17H17FN2O4/c1-11(21)10-24-16(22)12-2-6-14(7-3-12)19-17(23)20-15-8-4-13(18)5-9-15/h2-9,11,21H,10H2,1H3,(H2,19,20,23)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.747 kcal/mol

Physical Properties
Molecular Weight: 332.331 g/mol	logS: -4.05343	SlogP: 3.0073	Reactive groups: 0

Topological Properties
Globularity: 0.0281034	Sterimol/B1: 3.40628	Sterimol/B2: 3.51564	Sterimol/B3: 3.78372
Sterimol/B4: 4.2819	Sterimol/L: 20.3716

Surface and Volume Properties
Accessible surface: 602.604	Positive charged surface: 357.092	Negative charged surface: 245.513	Volume: 300.125
Hydrophobic surface: 434.822	Hydrophilic surface: 167.782

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

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Ions/Tautomers related molecules: no related molecules available.