MMsINC Database Search


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MMsINC code: MMs03944780

Type: Neutral
Formula: C₁₀H₁₅N₄O₂+

SMILES:

O=C1N(C)C(=O)N(c2[nH]c[nH+]c12)CC(C)C

InChI:

InChI=1/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=14.8785 kcal/mol

Physical Properties
Molecular Weight: 223.256 g/mol	logS: -1.50068	SlogP: 0.4968	Reactive groups: 0

Topological Properties
Globularity: 0.103956	Sterimol/B1: 2.96935	Sterimol/B2: 3.31095	Sterimol/B3: 3.50687
Sterimol/B4: 6.8192	Sterimol/L: 11.3059

Surface and Volume Properties
Accessible surface: 406.746	Positive charged surface: 319.662	Negative charged surface: 87.0841	Volume: 208.625
Hydrophobic surface: 221.969	Hydrophilic surface: 184.777

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 3
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.