MMsINC Database Search


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MMsINC code: MMs01794595

Type: Neutral
Formula: C₁₀H₁₅N₅O

SMILES:

OCCNc1nc2nc(C)c(nc2n1C)C

InChI:

InChI=1/C10H15N5O/c1-6-7(2)13-9-8(12-6)14-10(15(9)3)11-4-5-16/h16H,4-5H2,1-3H3,(H,11,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.6349 kcal/mol

Physical Properties
Molecular Weight: 221.264 g/mol	logS: -2.47887	SlogP: 0.74354	Reactive groups: 0

Topological Properties
Globularity: 0.0245047	Sterimol/B1: 2.42282	Sterimol/B2: 2.56233	Sterimol/B3: 2.76128
Sterimol/B4: 6.40009	Sterimol/L: 14.2375

Surface and Volume Properties
Accessible surface: 454.532	Positive charged surface: 362.274	Negative charged surface: 92.258	Volume: 215.875
Hydrophobic surface: 333.269	Hydrophilic surface: 121.263

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.