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MMsINC code: MMs02479989

Type: Neutral
Formula: C₁₀H₁₄FN₃O₄

SMILES:

FC1=CN(C2OC(CO)C(O)C2)C(=O)N=C1NC

InChI:

InChI=1/C10H14FN3O4/c1-12-9-5(11)3-14(10(17)13-9)8-2-6(16)7(4-15)18-8/h3,6-8,15-16H,2,4H2,1H3,(H,12,13,17)/t6-,7+,8+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.3354 kcal/mol

Physical Properties
Molecular Weight: 259.237 g/mol	logS: -0.75997	SlogP: -0.5721	Reactive groups: 0

Topological Properties
Globularity: 0.0446477	Sterimol/B1: 2.86293	Sterimol/B2: 3.45065	Sterimol/B3: 3.93175
Sterimol/B4: 4.58148	Sterimol/L: 14.2811

Surface and Volume Properties
Accessible surface: 457.076	Positive charged surface: 330.736	Negative charged surface: 126.34	Volume: 220.375
Hydrophobic surface: 275.598	Hydrophilic surface: 181.478

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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.