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CHEMDIV-ZINC02965017

 MMsINC code: MMs00899204
Type: Neutral
Formula: C15H26N2O3
SMILES:   O=C1N(C(CC1)C(=O)NCCCOCC)C1CCCC1
InChI:   InChI=1/C15H26N2O3/c1-2-20-11-5-10-16-15(19)13-8-9-14(18)17(13)12-6-3-4-7-12/h12-13H,2-11H2,1H3,(H,16,19)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=44.6575 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.384 g/mol  logS: -1.68976  SlogP: 1.4628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0433944  Sterimol/B1: 3.3253  Sterimol/B2: 3.7142  Sterimol/B3: 4.12462
  Sterimol/B4: 4.95972  Sterimol/L: 18.8294 
 
 Surface and Volume Properties
  Accessible surface: 568.824  Positive charged surface: 447.533  Negative charged surface: 121.29  Volume: 291.375
  Hydrophobic surface: 489.852  Hydrophilic surface: 78.972
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.