MMsINC Database Search


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MMsINC code: MMs02204453

Type: Neutral
Formula: C₁₀H₁₄N₆O

SMILES:

O=C(N(C(NC(N)=N)=N)c1ccc(N)cc1)C

InChI:

InChI=1/C10H14N6O/c1-6(17)16(10(14)15-9(12)13)8-4-2-7(11)3-5-8/h2-5H,11H2,1H3,(H5,12,13,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.8058 kcal/mol

Physical Properties
Molecular Weight: 234.263 g/mol	logS: -2.17379	SlogP: 0.03954	Reactive groups: 0

Topological Properties
Globularity: 0.16836	Sterimol/B1: 2.47761	Sterimol/B2: 4.02329	Sterimol/B3: 4.23713
Sterimol/B4: 5.87658	Sterimol/L: 11.9398

Surface and Volume Properties
Accessible surface: 427.808	Positive charged surface: 267.614	Negative charged surface: 160.193	Volume: 214.625
Hydrophobic surface: 189.866	Hydrophilic surface: 237.942

Pharmacophoric Properties
Hydrogen bond donors: 5	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.