MMsINC Database Search


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MMsINC code: MMs02277106

Type: Neutral
Formula: C₁₂H₃₀N₄

SMILES:

N(CCN(C)C)(CCN(C)C)CCN(C)C

InChI:

InChI=1/C12H30N4/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h7-12H2,1-6H3


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.3748 kcal/mol

Physical Properties
Molecular Weight: 230.4 g/mol	logS: 0.8179	SlogP: -0.0268	Reactive groups: 0

Topological Properties
Globularity: 0.0735628	Sterimol/B1: 2.72363	Sterimol/B2: 3.29429	Sterimol/B3: 3.86046
Sterimol/B4: 8.80403	Sterimol/L: 13.4409

Surface and Volume Properties
Accessible surface: 537.03	Positive charged surface: 527.134	Negative charged surface: 9.89612	Volume: 272.875
Hydrophobic surface: 527.134	Hydrophilic surface: 9.896

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
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

MMs02277107
NCID-ZINC01632625