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NCID-ZINC04897381

 MMsINC code: MMs02414415
Type: Neutral
Formula: C17H27NO7
SMILES:   O=C1NC(C(OCC)=O)(C(OCC)=O)C(CCCC)C1C(OCC)=O
InChI:   InChI=1/C17H27NO7/c1-5-9-10-11-12(14(20)23-6-2)13(19)18-17(11,15(21)24-7-3)16(22)25-8-4/h11-12H,5-10H2,1-4H3,(H,18,19)/t11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=84.8526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.403 g/mol  logS: -3.82377  SlogP: 0.9669  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117894  Sterimol/B1: 2.43481  Sterimol/B2: 3.82846  Sterimol/B3: 4.57876
  Sterimol/B4: 8.95976  Sterimol/L: 15.5418 
 
 Surface and Volume Properties
  Accessible surface: 620.759  Positive charged surface: 428.836  Negative charged surface: 191.923  Volume: 337.25
  Hydrophobic surface: 407.621  Hydrophilic surface: 213.138
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.