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PUBCHEM-ZINC02187451

 MMsINC code: MMs02883379
Type: Neutral
Formula: C14H25N3O3
SMILES:   O=C1N(CCC1)CC(=O)N1CCN(CC1)CCOCC
InChI:   InChI=1/C14H25N3O3/c1-2-20-11-10-15-6-8-16(9-7-15)14(19)12-17-5-3-4-13(17)18/h2-12H2,1H3

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Potential Energy
Epot(MMFF94)=68.2079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.372 g/mol  logS: -0.47281  SlogP: -0.2105  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0641993  Sterimol/B1: 2.40351  Sterimol/B2: 3.56325  Sterimol/B3: 3.87804
  Sterimol/B4: 5.99667  Sterimol/L: 17.3209 
 
 Surface and Volume Properties
  Accessible surface: 567.851  Positive charged surface: 469.903  Negative charged surface: 97.9484  Volume: 288.125
  Hydrophobic surface: 471.388  Hydrophilic surface: 96.463
 
 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


MMs02883380
PUBCHEM-ZINC02187451