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MMsINC code: MMs01871947

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-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.093 kcal/mol

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

Topological Properties
Globularity: 0.0557545	Sterimol/B1: 2.18877	Sterimol/B2: 2.96827	Sterimol/B3: 3.01995
Sterimol/B4: 6.55285	Sterimol/L: 14.0258

Surface and Volume Properties
Accessible surface: 458.349	Positive charged surface: 424.908	Negative charged surface: 33.4405	Volume: 237.375
Hydrophobic surface: 423.145	Hydrophilic surface: 35.204

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

MMs01871949
IBS-ZINC03882777