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MMsINC code: MMs01937086

Type: Neutral
Formula: C₁₂H₂₇N₃

SMILES:

N(CCN(C)C)C1CC(N(CC1C)C)C

InChI:

InChI=1/C12H27N3/c1-10-9-15(5)11(2)8-12(10)13-6-7-14(3)4/h10-13H,6-9H2,1-5H3/t10-,11-,12+/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.9965 kcal/mol

Physical Properties
Molecular Weight: 213.369 g/mol	logS: -0.23462	SlogP: 0.8663	Reactive groups: 0

Topological Properties
Globularity: 0.0975744	Sterimol/B1: 2.37248	Sterimol/B2: 2.6386	Sterimol/B3: 4.1525
Sterimol/B4: 6.63547	Sterimol/L: 14.5778

Surface and Volume Properties
Accessible surface: 481.795	Positive charged surface: 435.86	Negative charged surface: 45.9354	Volume: 248.125
Hydrophobic surface: 431.352	Hydrophilic surface: 50.443

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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

MMs01937087
IBS-ZINC05298051