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ENAMINE-ZINC02647791

 MMsINC code: MMs01273351
Type: Neutral
Formula: C16H26N2O4
SMILES:   o1cccc1CNC(=O)C(NC(OC(C)(C)C)=O)C(CC)C
InChI:   InChI=1/C16H26N2O4/c1-6-11(2)13(18-15(20)22-16(3,4)5)14(19)17-10-12-8-7-9-21-12/h7-9,11,13H,6,10H2,1-5H3,(H,17,19)(H,18,20)/t11-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=51.2916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.394 g/mol  logS: -3.75957  SlogP: 3.1016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11295  Sterimol/B1: 2.1097  Sterimol/B2: 2.92791  Sterimol/B3: 5.90213
  Sterimol/B4: 6.17309  Sterimol/L: 17.2416 
 
 Surface and Volume Properties
  Accessible surface: 593.442  Positive charged surface: 377.694  Negative charged surface: 215.748  Volume: 313.5
  Hydrophobic surface: 422.112  Hydrophilic surface: 171.33
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.