MMsINC Database Search


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MMsINC code: MMs01251140

Type: Neutral
Formula: C₁₀H₂₄N₄O₂+2

SMILES:

O=C(N)C[N+](CC[N+](CC(=O)N)(C)C)(C)C

InChI:

InChI=1/C10H22N4O2/c1-13(2,7-9(11)15)5-6-14(3,4)8-10(12)16/h5-8H2,1-4H3,(H2-2,11,12,15,16)/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=173.646 kcal/mol

Physical Properties
Molecular Weight: 232.328 g/mol	logS: 0.31732	SlogP: -1.8902	Reactive groups: 0

Topological Properties
Globularity: 0.103855	Sterimol/B1: 2.12228	Sterimol/B2: 2.37093	Sterimol/B3: 4.27336
Sterimol/B4: 4.76977	Sterimol/L: 15.1668

Surface and Volume Properties
Accessible surface: 452.355	Positive charged surface: 396.823	Negative charged surface: 55.5324	Volume: 234.875
Hydrophobic surface: 192.871	Hydrophilic surface: 259.484

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