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MMsINC code: MMs00483440

Type: Ionized
Formula: C₆H₁₁N₄O+

SMILES:

O=C(N)C([NH3+])Cc1nc[nH]c1

InChI:

InChI=1/C6H10N4O/c7-5(6(8)11)1-4-2-9-3-10-4/h2-3,5H,1,7H2,(H2,8,11)(H,9,10)/p+1/t5-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-1.13853 kcal/mol

Physical Properties
Molecular Weight: 155.181 g/mol	logS: -0.12258	SlogP: -1.95203	Reactive groups: 0

Topological Properties
Globularity: 0.0651843	Sterimol/B1: 2.56139	Sterimol/B2: 2.91324	Sterimol/B3: 2.98354
Sterimol/B4: 4.98278	Sterimol/L: 11.1543

Surface and Volume Properties
Accessible surface: 347.074	Positive charged surface: 276.839	Negative charged surface: 70.2345	Volume: 147.75
Hydrophobic surface: 134.495	Hydrophilic surface: 212.579

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 1
Chiral centers: 1

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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Parent related molecule:

MMs00483439
BACHEM-ZINC02522697