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MMsINC code: MMs03384387

Type: Neutral
Formula: C₁₁H₁₄N₄O₅

SMILES:

O1C(CO)C(O)C(O)C1n1c2N=CN(C)C(=O)c2nc1

InChI:

InChI=1/C11H14N4O5/c1-14-3-13-9-6(10(14)19)12-4-15(9)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.8276 kcal/mol

Physical Properties
Molecular Weight: 282.256 g/mol	logS: -0.50874	SlogP: -1.6645	Reactive groups: 0

Topological Properties
Globularity: 0.0468437	Sterimol/B1: 2.89817	Sterimol/B2: 3.27662	Sterimol/B3: 3.97077
Sterimol/B4: 4.36492	Sterimol/L: 14.4442

Surface and Volume Properties
Accessible surface: 477.427	Positive charged surface: 365.7	Negative charged surface: 111.727	Volume: 237.75
Hydrophobic surface: 242.461	Hydrophilic surface: 234.966

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 7	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

MMs03384388
PUBCHEM-ZINC05783633