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CHEMBRIDGE-ZINC02754585

 MMsINC code: MMs00715427
Type: Neutral
Formula: C13H26N2O2
SMILES:   O=C(NC(CNC(=O)C(C)(C)C)C)C(C)(C)C
InChI:   InChI=1/C13H26N2O2/c1-9(15-11(17)13(5,6)7)8-14-10(16)12(2,3)4/h9H,8H2,1-7H3,(H,14,16)(H,15,17)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=32.5656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.363 g/mol  logS: -1.48823  SlogP: 1.6995  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119827  Sterimol/B1: 2.37599  Sterimol/B2: 3.48234  Sterimol/B3: 3.51704
  Sterimol/B4: 7.74426  Sterimol/L: 13.2615 
 
 Surface and Volume Properties
  Accessible surface: 500.844  Positive charged surface: 343.874  Negative charged surface: 156.97  Volume: 267.875
  Hydrophobic surface: 333.636  Hydrophilic surface: 167.208
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.