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CHEMBRIDGE-ZINC02919032

 MMsINC code: MMs00741380
Type: Neutral
Formula: C13H23NO4
SMILES:   O(C(=O)C1N(C1)C(CC)C(OCC)=O)CCCC
InChI:   InChI=1/C13H23NO4/c1-4-7-8-18-13(16)11-9-14(11)10(5-2)12(15)17-6-3/h10-11H,4-9H2,1-3H3/t10-,11+,14-/m0/s1

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Potential Energy
Epot(MMFF94)=74.4218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.33 g/mol  logS: -2.354  SlogP: 1.3556  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.136694  Sterimol/B1: 3.6568  Sterimol/B2: 4.78507  Sterimol/B3: 4.79912
  Sterimol/B4: 6.53981  Sterimol/L: 14.0446 
 
 Surface and Volume Properties
  Accessible surface: 549.267  Positive charged surface: 403.669  Negative charged surface: 145.598  Volume: 264.125
  Hydrophobic surface: 427.976  Hydrophilic surface: 121.291
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.