MMsINC Database Search


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MMsINC code: MMs02218701

Type: Neutral
Formula: C₁₀H₁₃FN₂O₇

SMILES:

FC1=CN(C2OC(CO)C(O)C(O)C2O)C(=O)NC1=O

InChI:

InChI=1/C10H13FN2O7/c11-3-1-13(10(19)12-8(3)18)9-7(17)6(16)5(15)4(2-14)20-9/h1,4-7,9,14-17H,2H2,(H,12,18,19)/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)=98.6582 kcal/mol

Physical Properties
Molecular Weight: 292.219 g/mol	logS: -0.05835	SlogP: -2.7421	Reactive groups: 0

Topological Properties
Globularity: 0.232593	Sterimol/B1: 3.09397	Sterimol/B2: 3.85079	Sterimol/B3: 4.11649
Sterimol/B4: 6.2852	Sterimol/L: 11.1636

Surface and Volume Properties
Accessible surface: 432.952	Positive charged surface: 277.04	Negative charged surface: 155.912	Volume: 220
Hydrophobic surface: 155.764	Hydrophilic surface: 277.188

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	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

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Ions/Tautomers related molecules: no related molecules available.