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MMsINC code: MMs02442367

Type: Neutral
Formula: C₁₀H₁₁FN₄O₄

SMILES:

FCC1OC(n2c3N=CNC(=O)c3nc2)C(O)C1O

InChI:

InChI=1/C10H11FN4O4/c11-1-4-6(16)7(17)10(19-4)15-3-14-5-8(15)12-2-13-9(5)18/h2-4,6-7,10,16-17H,1H2,(H,12,13,18)/t4-,6+,7+,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.948 kcal/mol

Physical Properties
Molecular Weight: 270.22 g/mol	logS: -1.14096	SlogP: -1.0295	Reactive groups: 1

Topological Properties
Globularity: 0.101384	Sterimol/B1: 2.41843	Sterimol/B2: 2.6377	Sterimol/B3: 4.46374
Sterimol/B4: 5.17538	Sterimol/L: 13.2962

Surface and Volume Properties
Accessible surface: 436.669	Positive charged surface: 305.165	Negative charged surface: 131.504	Volume: 215.25
Hydrophobic surface: 184.411	Hydrophilic surface: 252.258

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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

MMs02442368
NCID-ZINC05106288