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MMsINC code: MMs02459787

Type: Neutral
Formula: C₁₁H₁₆N₄O₅

SMILES:

O1C(CO)C(O)C(O)C1n1c2NC=NC(c2nc1)CO

InChI:

InChI=1/C11H16N4O5/c16-1-5-7-10(13-3-12-5)15(4-14-7)11-9(19)8(18)6(2-17)20-11/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6+,8-,9+,11+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.4796 kcal/mol

Physical Properties
Molecular Weight: 284.272 g/mol	logS: -0.02488	SlogP: -1.8272	Reactive groups: 0

Topological Properties
Globularity: 0.0680475	Sterimol/B1: 2.56177	Sterimol/B2: 2.72896	Sterimol/B3: 3.98584
Sterimol/B4: 5.97132	Sterimol/L: 14.6654

Surface and Volume Properties
Accessible surface: 486.643	Positive charged surface: 381.027	Negative charged surface: 105.616	Volume: 243.5
Hydrophobic surface: 223.113	Hydrophilic surface: 263.53

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

MMs02459788
NCID-ZINC05409860