MMsINC Database Search


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MMsINC code: MMs02082107

Type: Neutral
Formula: C₁₀H₁₆N₆O₂

SMILES:

O(C(OC)CNc1ncnc2n(nnc12)CC)C

InChI:

InChI=1/C10H16N6O2/c1-4-16-10-8(14-15-16)9(12-6-13-10)11-5-7(17-2)18-3/h6-7H,4-5H2,1-3H3,(H,11,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.8464 kcal/mol

Physical Properties
Molecular Weight: 252.278 g/mol	logS: -1.31897	SlogP: 0.5384	Reactive groups: 0

Topological Properties
Globularity: 0.0665891	Sterimol/B1: 2.93776	Sterimol/B2: 3.08959	Sterimol/B3: 4.79195
Sterimol/B4: 5.85194	Sterimol/L: 15.2677

Surface and Volume Properties
Accessible surface: 493.591	Positive charged surface: 397.436	Negative charged surface: 96.1553	Volume: 234.875
Hydrophobic surface: 327.266	Hydrophilic surface: 166.325

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.