MMsINC Database Search


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MMsINC code: MMs01458906

Type: Neutral
Formula: C₁₅H₁₆F₂N₂O₅

SMILES:

FC(F)Oc1ccc(cc1)C1(NC(=O)N(CC(OCC)=O)C1=O)C

InChI:

InChI=1/C15H16F2N2O5/c1-3-23-11(20)8-19-12(21)15(2,18-14(19)22)9-4-6-10(7-5-9)24-13(16)17/h4-7,13H,3,8H2,1-2H3,(H,18,22)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.9343 kcal/mol

Physical Properties
Molecular Weight: 342.298 g/mol	logS: -2.99923	SlogP: 2.3495	Reactive groups: 1

Topological Properties
Globularity: 0.0999377	Sterimol/B1: 3.67206	Sterimol/B2: 3.707	Sterimol/B3: 3.85532
Sterimol/B4: 7.42245	Sterimol/L: 14.7714

Surface and Volume Properties
Accessible surface: 556.682	Positive charged surface: 326.631	Negative charged surface: 230.051	Volume: 287.875
Hydrophobic surface: 306.111	Hydrophilic surface: 250.571

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.