MMsINC Database Search


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MMsINC code: MMs00495020

Type: Neutral
Formula: C₁₁H₂₆N₄

SMILES:

N1CCN(CCN(CCN(CC1)C)C)C

InChI:

InChI=1/C11H26N4/c1-13-6-4-12-5-7-14(2)9-11-15(3)10-8-13/h12H,4-11H2,1-3H3


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=166.245 kcal/mol

Physical Properties
Molecular Weight: 214.357 g/mol	logS: 0.80001	SlogP: -0.615	Reactive groups: 0

Topological Properties
Globularity: 0.391073	Sterimol/B1: 2.27274	Sterimol/B2: 3.95419	Sterimol/B3: 5.01489
Sterimol/B4: 5.5066	Sterimol/L: 10.4552

Surface and Volume Properties
Accessible surface: 401.951	Positive charged surface: 369.489	Negative charged surface: 32.4622	Volume: 234.875
Hydrophobic surface: 358.941	Hydrophilic surface: 43.01

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00495023
CHEMBLOCK-ZINC00083215