MMsINC Database Search


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MMsINC code: MMs02658329

Type: Neutral
Formula: C₉H₁₀N₄O₃

SMILES:

O=C1N(C)C(=O)N(c2nc(cnc12)CO)C

InChI:

InChI=1/C9H10N4O3/c1-12-7-6(8(15)13(2)9(12)16)10-3-5(4-14)11-7/h3,14H,4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.9392 kcal/mol

Physical Properties
Molecular Weight: 222.204 g/mol	logS: 0.40224	SlogP: -0.1229	Reactive groups: 0

Topological Properties
Globularity: 0.02144	Sterimol/B1: 2.01046	Sterimol/B2: 2.37645	Sterimol/B3: 2.51311
Sterimol/B4: 7.05485	Sterimol/L: 12.8224

Surface and Volume Properties
Accessible surface: 403.436	Positive charged surface: 324.316	Negative charged surface: 79.1199	Volume: 190.375
Hydrophobic surface: 236.762	Hydrophilic surface: 166.674

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

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.