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PUBCHEM-ZINC02746115

 MMsINC code: MMs02915504
Type: Neutral
Formula: C15H26N2O2
SMILES:   O=C(NC(CNC(=O)C1CCCC1)C)C1CCCC1
InChI:   InChI=1/C15H26N2O2/c1-11(17-15(19)13-8-4-5-9-13)10-16-14(18)12-6-2-3-7-12/h11-13H,2-10H2,1H3,(H,16,18)(H,17,19)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=28.7098 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -2.94149  SlogP: 1.9877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0807232  Sterimol/B1: 2.32829  Sterimol/B2: 3.2309  Sterimol/B3: 3.95605
  Sterimol/B4: 7.70644  Sterimol/L: 15.7447 
 
 Surface and Volume Properties
  Accessible surface: 552.284  Positive charged surface: 425.114  Negative charged surface: 127.17  Volume: 281.375
  Hydrophobic surface: 471.075  Hydrophilic surface: 81.209
 
 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.