MMsINC Database Search


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MMsINC code: MMs02082986

Type: Neutral
Formula: C₁₇H₁₅FN₂O₄

SMILES:

Fc1ccccc1CNC(=O)C(=O)Nc1ccc(cc1)C(OC)=O

InChI:

InChI=1/C17H15FN2O4/c1-24-17(23)11-6-8-13(9-7-11)20-16(22)15(21)19-10-12-4-2-3-5-14(12)18/h2-9H,10H2,1H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.5651 kcal/mol

Physical Properties
Molecular Weight: 330.315 g/mol	logS: -4.20415	SlogP: 2.1336	Reactive groups: 0

Topological Properties
Globularity: 0.0287479	Sterimol/B1: 3.23389	Sterimol/B2: 3.25072	Sterimol/B3: 4.11995
Sterimol/B4: 5.09481	Sterimol/L: 19.8203

Surface and Volume Properties
Accessible surface: 588.011	Positive charged surface: 352.142	Negative charged surface: 235.868	Volume: 297.75
Hydrophobic surface: 448.135	Hydrophilic surface: 139.876

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.