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MMsINC code: MMs00765132

Type: Neutral
Formula: C₁₀H₂₅N₅+2

SMILES:

[NH2+]=C(N(CCCC)CCCC)NC(=[NH2+])N

InChI:

InChI=1/C10H23N5/c1-3-5-7-15(8-6-4-2)10(13)14-9(11)12/h3-8H2,1-2H3,(H5,11,12,13,14)/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-110.074 kcal/mol

Physical Properties
Molecular Weight: 215.345 g/mol	logS: -2.274	SlogP: -2.3329	Reactive groups: 0

Topological Properties
Globularity: 0.108913	Sterimol/B1: 2.71751	Sterimol/B2: 3.05414	Sterimol/B3: 3.28653
Sterimol/B4: 8.35766	Sterimol/L: 13.2392

Surface and Volume Properties
Accessible surface: 505.032	Positive charged surface: 423.317	Negative charged surface: 81.7149	Volume: 242
Hydrophobic surface: 286.169	Hydrophilic surface: 218.863

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 5
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

MMs00765133
CHEMBRIDGE-ZINC04183468