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MMsINC code: MMs00782007

Type: Neutral
Formula: C₁₆H₂₄N₄O₂

SMILES:

O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCCCCC1

InChI:

InChI=1/C16H24N4O2/c21-20(22)15-6-5-14(18-11-7-17-8-12-18)13-16(15)19-9-3-1-2-4-10-19/h5-6,13,17H,1-4,7-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=205.779 kcal/mol

Physical Properties
Molecular Weight: 304.394 g/mol	logS: -2.90163	SlogP: 2.3848	Reactive groups: 0

Topological Properties
Globularity: 0.0891447	Sterimol/B1: 3.53548	Sterimol/B2: 3.92773	Sterimol/B3: 4.16714
Sterimol/B4: 6.40547	Sterimol/L: 14.8218

Surface and Volume Properties
Accessible surface: 527.368	Positive charged surface: 399.164	Negative charged surface: 128.204	Volume: 296.125
Hydrophobic surface: 417.547	Hydrophilic surface: 109.821

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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

MMs00782008
CHEMBRIDGE-ZINC04740955