MMsINC Database Search


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MMsINC code: MMs02304615

Type: Neutral
Formula: C₁₂H₂₉N₃

SMILES:

N(CC(NC)CN(CC)CC)(CC)CC

InChI:

InChI=1/C12H29N3/c1-6-14(7-2)10-12(13-5)11-15(8-3)9-4/h12-13H,6-11H2,1-5H3


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.3932 kcal/mol

Physical Properties
Molecular Weight: 215.385 g/mol	logS: -0.4621	SlogP: 1.258	Reactive groups: 0

Topological Properties
Globularity: 0.129557	Sterimol/B1: 2.34894	Sterimol/B2: 2.54449	Sterimol/B3: 4.66242
Sterimol/B4: 5.95125	Sterimol/L: 13.1891

Surface and Volume Properties
Accessible surface: 480.86	Positive charged surface: 388.957	Negative charged surface: 91.903	Volume: 258.25
Hydrophobic surface: 379.906	Hydrophilic surface: 100.954

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs02304617
NCID-ZINC01668539