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ENAMINE-ZINC06654257

 MMsINC code: MMs01694150
Type: Neutral
Formula: C16H26N4O5
SMILES:   O=C1N(CC(=O)NC(=O)NCCCOCC)C(=O)NC12CCCCC2
InChI:   InChI=1/C16H26N4O5/c1-2-25-10-6-9-17-14(23)18-12(21)11-20-13(22)16(19-15(20)24)7-4-3-5-8-16/h2-11H2,1H3,(H,19,24)(H2,17,18,21,23)

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Potential Energy
Epot(MMFF94)=2.08567 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.407 g/mol  logS: -2.57835  SlogP: 0.4935  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0215621  Sterimol/B1: 3.57194  Sterimol/B2: 4.22091  Sterimol/B3: 4.3043
  Sterimol/B4: 4.42751  Sterimol/L: 22.4386 
 
 Surface and Volume Properties
  Accessible surface: 647.59  Positive charged surface: 477.758  Negative charged surface: 169.831  Volume: 332
  Hydrophobic surface: 432.815  Hydrophilic surface: 214.775
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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: no related molecules available.