MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02503968

Type: Neutral
Formula: C₁₀H₁₂F₂N₂O₆

SMILES:

FC1C(O)C(OC(N2C=C(F)C(=O)NC2=O)C1O)CO

InChI:

InChI=1/C10H12F2N2O6/c11-3-1-14(10(19)13-8(3)18)9-7(17)5(12)6(16)4(2-15)20-9/h1,4-7,9,15-17H,2H2,(H,13,18,19)/t4-,5+,6+,7-,9+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.1367 kcal/mol

Physical Properties
Molecular Weight: 294.21 g/mol	logS: -0.58458	SlogP: -1.345	Reactive groups: 0

Topological Properties
Globularity: 0.214723	Sterimol/B1: 3.1569	Sterimol/B2: 4.07216	Sterimol/B3: 4.11963
Sterimol/B4: 5.86976	Sterimol/L: 11.013

Surface and Volume Properties
Accessible surface: 426.578	Positive charged surface: 257.032	Negative charged surface: 169.546	Volume: 219.125
Hydrophobic surface: 158.078	Hydrophilic surface: 268.5

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 5

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.