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MMsINC code: MMs02223953

Type: Neutral
Formula: C₈H₂₂N₆+2

SMILES:

[NH2+]=C(NCCCCCCNC(=[NH2+])N)N

InChI:

InChI=1/C8H20N6/c9-7(10)13-5-3-1-2-4-6-14-8(11)12/h1-6H2,(H4,9,10,13)(H4,11,12,14)/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-131.504 kcal/mol

Physical Properties
Molecular Weight: 202.306 g/mol	logS: -0.98992	SlogP: -4.1264	Reactive groups: 0

Topological Properties
Globularity: 0.0128661	Sterimol/B1: 2.38261	Sterimol/B2: 2.38262	Sterimol/B3: 3.20972
Sterimol/B4: 3.32311	Sterimol/L: 17.8719

Surface and Volume Properties
Accessible surface: 489.209	Positive charged surface: 431.648	Negative charged surface: 57.5604	Volume: 221.125
Hydrophobic surface: 191.21	Hydrophilic surface: 297.999

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 6
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

MMs02223954
NCID-ZINC01561855