MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02428648

Type: Neutral
Formula: C₉H₂₆N₇+3

SMILES:

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

InChI:

InChI=1/C9H23N7/c10-8(11)15-6-2-1-4-14-5-3-7-16-9(12)13/h14H,1-7H2,(H4,10,11,15)(H4,12,13,16)/p+3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-116.619 kcal/mol

Physical Properties
Molecular Weight: 232.356 g/mol	logS: -0.5307	SlogP: -5.9531	Reactive groups: 0

Topological Properties
Globularity: 0.011005	Sterimol/B1: 2.38322	Sterimol/B2: 2.38388	Sterimol/B3: 3.23468
Sterimol/B4: 3.36464	Sterimol/L: 20.2909

Surface and Volume Properties
Accessible surface: 549.316	Positive charged surface: 495.01	Negative charged surface: 54.3057	Volume: 250.875
Hydrophobic surface: 215.252	Hydrophilic surface: 334.064

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

search links for this molecule:

Ions/Tautomers related molecules

MMs02428649
NCID-ZINC05015111