MMsINC Database Search


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MMsINC code: MMs00070945

Type: Neutral
Formula: C₁₀H₁₅N₅O₂

SMILES:

O=C1N(C)C(=O)N(c2nc(n(c12)C)N(C)C)C

InChI:

InChI=1/C10H15N5O2/c1-12(2)9-11-7-6(13(9)3)8(16)15(5)10(17)14(7)4/h1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.8681 kcal/mol

Physical Properties
Molecular Weight: 237.263 g/mol	logS: -1.21748	SlogP: 0.4871	Reactive groups: 0

Topological Properties
Globularity: 0.0855537	Sterimol/B1: 2.06267	Sterimol/B2: 3.52077	Sterimol/B3: 3.58906
Sterimol/B4: 7.51306	Sterimol/L: 12.5797

Surface and Volume Properties
Accessible surface: 445.094	Positive charged surface: 396.059	Negative charged surface: 49.0344	Volume: 221.625
Hydrophobic surface: 360.568	Hydrophilic surface: 84.526

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.