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NCID-ZINC01694793

 MMsINC code: MMs02325932
Type: Neutral
Formula: C13H23NO3
SMILES:   O(C(=O)CCC(=O)N1CCCCC1)CC(C)C
InChI:   InChI=1/C13H23NO3/c1-11(2)10-17-13(16)7-6-12(15)14-8-4-3-5-9-14/h11H,3-10H2,1-2H3

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Potential Energy
Epot(MMFF94)=12.2633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.331 g/mol  logS: -1.31403  SlogP: 1.9783  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0391357  Sterimol/B1: 2.82817  Sterimol/B2: 3.1535  Sterimol/B3: 3.64779
  Sterimol/B4: 4.59971  Sterimol/L: 16.813 
 
 Surface and Volume Properties
  Accessible surface: 514.872  Positive charged surface: 398.159  Negative charged surface: 116.713  Volume: 253.375
  Hydrophobic surface: 408.058  Hydrophilic surface: 106.814
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.