MMsINC Database Search


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

MMsINC code: MMs02417776

Type: Neutral
Formula: C₁₈H₃₈N₆O₂

SMILES:

O=C(N1CCN(CC1)C(=O)CNCCCN(C)C)CNCCCN(C)C

InChI:

InChI=1/C18H38N6O2/c1-21(2)9-5-7-19-15-17(25)23-11-13-24(14-12-23)18(26)16-20-8-6-10-22(3)4/h19-20H,5-16H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.0408 kcal/mol

Physical Properties
Molecular Weight: 370.542 g/mol	logS: 0.39426	SlogP: -1.2602	Reactive groups: 0

Topological Properties
Globularity: 0.017639	Sterimol/B1: 2.22515	Sterimol/B2: 2.98176	Sterimol/B3: 3.80083
Sterimol/B4: 7.76289	Sterimol/L: 25.2866

Surface and Volume Properties
Accessible surface: 748.931	Positive charged surface: 683.087	Negative charged surface: 65.8437	Volume: 400.125
Hydrophobic surface: 642.835	Hydrophilic surface: 106.096

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
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:

Ions/Tautomers related molecules

MMs02417777
NCID-ZINC04946097