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MMsINC code: MMs03814915

Type: Neutral
Formula: C₁₀H₁₅N₅O₅

SMILES:

O=C1NC(=Nc2n(cnc12)C(OC(CO)CO)CO)N

InChI:

InChI=1/C10H15N5O5/c11-10-13-8-7(9(19)14-10)12-4-15(8)6(3-18)20-5(1-16)2-17/h4-6,16-18H,1-3H2,(H3,11,13,14,19)/t6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.135 kcal/mol

Physical Properties
Molecular Weight: 285.26 g/mol	logS: -0.51682	SlogP: -2.4711	Reactive groups: 0

Topological Properties
Globularity: 0.181186	Sterimol/B1: 2.50279	Sterimol/B2: 4.44609	Sterimol/B3: 5.11971
Sterimol/B4: 5.93021	Sterimol/L: 13.3847

Surface and Volume Properties
Accessible surface: 492.191	Positive charged surface: 385.836	Negative charged surface: 106.355	Volume: 241.25
Hydrophobic surface: 184.794	Hydrophilic surface: 307.397

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.