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NCID-ZINC01764163

 MMsINC code: MMs02368853
Type: Neutral
Formula: C16H26N2O5
SMILES:   O=C1N(CC(=O)C(NC(OC(C)(C)C)=O)CC(C)C)C(=O)CC1
InChI:   InChI=1/C16H26N2O5/c1-10(2)8-11(17-15(22)23-16(3,4)5)12(19)9-18-13(20)6-7-14(18)21/h10-11H,6-9H2,1-5H3,(H,17,22)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=30.533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.393 g/mol  logS: -3.0789  SlogP: 1.6439  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0811803  Sterimol/B1: 2.12194  Sterimol/B2: 2.58357  Sterimol/B3: 4.19974
  Sterimol/B4: 8.78546  Sterimol/L: 16.2217 
 
 Surface and Volume Properties
  Accessible surface: 589.764  Positive charged surface: 392.152  Negative charged surface: 197.612  Volume: 319
  Hydrophobic surface: 369.488  Hydrophilic surface: 220.276
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.