MMsINC Database Search


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MMsINC code: MMs00291725

Type: Neutral
Formula: C₁₂H₂₅N₃

SMILES:

N1CCCCC1CCN1CCN(CC1)C

InChI:

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


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.6124 kcal/mol

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

Topological Properties
Globularity: 0.0433675	Sterimol/B1: 2.85022	Sterimol/B2: 3.20814	Sterimol/B3: 3.42059
Sterimol/B4: 4.18869	Sterimol/L: 15.3237

Surface and Volume Properties
Accessible surface: 467.925	Positive charged surface: 434.595	Negative charged surface: 33.331	Volume: 236.75
Hydrophobic surface: 447.907	Hydrophilic surface: 20.018

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

MMs00291726
ASINEX-ZINC03882654