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CHEMBRIDGE-ZINC05016283

 MMsINC code: MMs00827187
Type: Neutral
Formula: C13H23N3O2
SMILES:   O=C1N(CCC)C(=O)CC1N1CCN(CC1)CC
InChI:   InChI=1/C13H23N3O2/c1-3-5-16-12(17)10-11(13(16)18)15-8-6-14(4-2)7-9-15/h11H,3-10H2,1-2H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=46.1776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.346 g/mol  logS: -0.876  SlogP: 0.1614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132275  Sterimol/B1: 2.48814  Sterimol/B2: 3.34394  Sterimol/B3: 4.10971
  Sterimol/B4: 7.4062  Sterimol/L: 13.2391 
 
 Surface and Volume Properties
  Accessible surface: 486.878  Positive charged surface: 374.416  Negative charged surface: 112.462  Volume: 259.875
  Hydrophobic surface: 371.161  Hydrophilic surface: 115.717
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00827188
CHEMBRIDGE-ZINC05016283