MMsINC Database Search


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MMsINC code: MMs03378142

Type: Ionized
Formula: C₇H₂₀N₄+2

SMILES:

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

InChI:

InChI=1/C7H19N4/c1-11(2,3)6-4-5-10-7(8)9/h4-6H2,1-3H3,(H4,8,9,10)/q+1/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-39.3447 kcal/mol

Physical Properties
Molecular Weight: 160.265 g/mol	logS: 0.14403	SlogP: -2.2539	Reactive groups: 0

Topological Properties
Globularity: 0.124898	Sterimol/B1: 2.17785	Sterimol/B2: 2.54361	Sterimol/B3: 4.42567
Sterimol/B4: 4.60124	Sterimol/L: 12.5579

Surface and Volume Properties
Accessible surface: 401.523	Positive charged surface: 380.122	Negative charged surface: 21.4014	Volume: 186.875
Hydrophobic surface: 197.197	Hydrophilic surface: 204.326

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 4
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

search links for this molecule:

Parent related molecule:

MMs03378141
PUBCHEM-ZINC05764610