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MMsINC code: MMs03206795

Type: Neutral
Formula: C₇H₁₄N₄O₅

SMILES:

O1C(CO)C(O)C(O)C1NC(=O)N=C(N)N

InChI:

InChI=1/C7H14N4O5/c8-6(9)11-7(15)10-5-4(14)3(13)2(1-12)16-5/h2-5,12-14H,1H2,(H5,8,9,10,11,15)/t2-,3-,4-,5-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=2.76824 kcal/mol

Physical Properties
Molecular Weight: 234.212 g/mol	logS: 0.2958	SlogP: -3.5916	Reactive groups: 0

Topological Properties
Globularity: 0.072811	Sterimol/B1: 2.83425	Sterimol/B2: 3.23713	Sterimol/B3: 3.99731
Sterimol/B4: 6.48061	Sterimol/L: 12.6406

Surface and Volume Properties
Accessible surface: 439.327	Positive charged surface: 316.416	Negative charged surface: 122.911	Volume: 193.875
Hydrophobic surface: 96.9434	Hydrophilic surface: 342.3836

Pharmacophoric Properties
Hydrogen bond donors: 6	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs03206796
PUBCHEM-ZINC05131883