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MMsINC code: MMs02295935

Type: Neutral
Formula: C₁₂H₂₄N₄O₂

SMILES:

O=CN(CCN1CCN(CC1)CCN(C=O)C)C

InChI:

InChI=1/C12H24N4O2/c1-13(11-17)3-5-15-7-9-16(10-8-15)6-4-14(2)12-18/h11-12H,3-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.4909 kcal/mol

Physical Properties
Molecular Weight: 256.35 g/mol	logS: 0.53912	SlogP: -1.2196	Reactive groups: 0

Topological Properties
Globularity: 0.057587	Sterimol/B1: 2.3448	Sterimol/B2: 2.48792	Sterimol/B3: 4.2034
Sterimol/B4: 5.49584	Sterimol/L: 17.5286

Surface and Volume Properties
Accessible surface: 524.901	Positive charged surface: 458.002	Negative charged surface: 66.8995	Volume: 263.875
Hydrophobic surface: 405.099	Hydrophilic surface: 119.802

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

MMs02295936
NCID-ZINC01657857