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CHEMDIV-ZINC00478056

 MMsINC code: MMs00853863
Type: Neutral
Formula: C14H23NO3
SMILES:   OC(=O)C1CCCCC1C(=O)N1CCC(CC1)C
InChI:   InChI=1/C14H23NO3/c1-10-6-8-15(9-7-10)13(16)11-4-2-3-5-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=19.6161 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.342 g/mol  logS: -2.01811  SlogP: 2.1359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138681  Sterimol/B1: 2.17617  Sterimol/B2: 4.30191  Sterimol/B3: 4.94055
  Sterimol/B4: 5.41648  Sterimol/L: 13.5933 
 
 Surface and Volume Properties
  Accessible surface: 468.511  Positive charged surface: 358.102  Negative charged surface: 110.409  Volume: 256.25
  Hydrophobic surface: 354.356  Hydrophilic surface: 114.155
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00853864
CHEMDIV-ZINC00478056