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MMsINC code: MMs02295937

Type: Neutral
Formula: C₁₄H₂₈N₄O₂

SMILES:

O=CN(CCCN1CCN(CC1)CCCN(C=O)C)C

InChI:

InChI=1/C14H28N4O2/c1-15(13-19)5-3-7-17-9-11-18(12-10-17)8-4-6-16(2)14-20/h13-14H,3-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.6543 kcal/mol

Physical Properties
Molecular Weight: 284.404 g/mol	logS: 0.13558	SlogP: -0.4394	Reactive groups: 0

Topological Properties
Globularity: 0.0496618	Sterimol/B1: 2.13835	Sterimol/B2: 4.10562	Sterimol/B3: 4.31854
Sterimol/B4: 5.56078	Sterimol/L: 18.1655

Surface and Volume Properties
Accessible surface: 592.557	Positive charged surface: 519.938	Negative charged surface: 72.6183	Volume: 302.5
Hydrophobic surface: 470.877	Hydrophilic surface: 121.68

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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

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Ions/Tautomers related molecules

MMs02295938
NCID-ZINC01657858