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NCID-ZINC05733625

 MMsINC code: MMs02492185
Type: Neutral
Formula: C15H27NO5
SMILES:   OC1C2N(CCC2COC(=O)C(O)(C(C)C)C(O)C)CC1
InChI:   InChI=1/C15H27NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h9-13,17-18,20H,4-8H2,1-3H3/t10-,11-,12+,13-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=137.492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.383 g/mol  logS: -1.12449  SlogP: -0.2474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111329  Sterimol/B1: 2.60933  Sterimol/B2: 3.44738  Sterimol/B3: 4.88276
  Sterimol/B4: 5.34514  Sterimol/L: 14.0466 
 
 Surface and Volume Properties
  Accessible surface: 530.068  Positive charged surface: 402.535  Negative charged surface: 127.533  Volume: 291
  Hydrophobic surface: 356.543  Hydrophilic surface: 173.525
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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


MMs02492186
NCID-ZINC05733625