MMsINC Database Search


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MMsINC code: MMs02857056

Type: Neutral
Formula: C₆H₁₁N₅

SMILES:

n1c(N)c(N(C)C)cnc1N

InChI:

InChI=1/C6H11N5/c1-11(2)4-3-9-6(8)10-5(4)7/h3H,1-2H3,(H4,7,8,9,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.2878 kcal/mol

Physical Properties
Molecular Weight: 153.189 g/mol	logS: -0.56991	SlogP: -0.293	Reactive groups: 0

Topological Properties
Globularity: 0.153666	Sterimol/B1: 2.38649	Sterimol/B2: 3.22182	Sterimol/B3: 4.75966
Sterimol/B4: 4.83923	Sterimol/L: 10.534

Surface and Volume Properties
Accessible surface: 345.538	Positive charged surface: 298.153	Negative charged surface: 47.3855	Volume: 149.625
Hydrophobic surface: 166.565	Hydrophilic surface: 178.973

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