MMsINC Database Search


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MMsINC code: MMs02819903

Type: Neutral
Formula: C₁₀H₁₀N₆O

SMILES:

O=C(Nc1c(ncnc1N)N)c1cccnc1

InChI:

InChI=1/C10H10N6O/c11-8-7(9(12)15-5-14-8)16-10(17)6-2-1-3-13-4-6/h1-5H,(H,16,17)(H4,11,12,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6624 kcal/mol

Physical Properties
Molecular Weight: 230.231 g/mol	logS: -1.06387	SlogP: 0.2883	Reactive groups: 0

Topological Properties
Globularity: 0.095713	Sterimol/B1: 2.8434	Sterimol/B2: 4.25043	Sterimol/B3: 4.38462
Sterimol/B4: 4.69326	Sterimol/L: 14.0513

Surface and Volume Properties
Accessible surface: 425.785	Positive charged surface: 303.097	Negative charged surface: 122.688	Volume: 204.875
Hydrophobic surface: 188.919	Hydrophilic surface: 236.866

Pharmacophoric Properties
Hydrogen bond donors: 3	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.