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MMsINC code: MMs01871950

Type: Neutral
Formula: C₁₂H₂₅N₃

SMILES:

N1CCN(CC1)CCC1N(CCCC1)C

InChI:

InChI=1/C12H25N3/c1-14-8-3-2-4-12(14)5-9-15-10-6-13-7-11-15/h12-13H,2-11H2,1H3/t12-/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.345 kcal/mol

Physical Properties
Molecular Weight: 211.353 g/mol	logS: -0.25802	SlogP: 0.766	Reactive groups: 0

Topological Properties
Globularity: 0.103492	Sterimol/B1: 2.19081	Sterimol/B2: 3.31891	Sterimol/B3: 4.20917
Sterimol/B4: 6.54636	Sterimol/L: 13.9089

Surface and Volume Properties
Accessible surface: 459.979	Positive charged surface: 424.403	Negative charged surface: 35.5766	Volume: 238.375
Hydrophobic surface: 424.53	Hydrophilic surface: 35.449

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
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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Ions/Tautomers related molecules

MMs01871952
IBS-ZINC03882778