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MMsINC code: MMs02393385

Type: Neutral
Formula: C₈H₂₄N₇+3

SMILES:

[NH2+](CCCNC(=[NH2+])N)CCCNC(=[NH2+])N

InChI:

InChI=1/C8H21N7/c9-7(10)14-5-1-3-13-4-2-6-15-8(11)12/h13H,1-6H2,(H4,9,10,14)(H4,11,12,15)/p+3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-115.945 kcal/mol

Physical Properties
Molecular Weight: 218.329 g/mol	logS: -0.32893	SlogP: -6.3432	Reactive groups: 0

Topological Properties
Globularity: 0.0119708	Sterimol/B1: 2.38342	Sterimol/B2: 2.3841	Sterimol/B3: 3.22174
Sterimol/B4: 3.34182	Sterimol/L: 18.9888

Surface and Volume Properties
Accessible surface: 517.108	Positive charged surface: 465.452	Negative charged surface: 51.6559	Volume: 235.25
Hydrophobic surface: 182.752	Hydrophilic surface: 334.356

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 7
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs02393386
NCID-ZINC04684261