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PUBCHEM-ZINC05415412

 MMsINC code: MMs03261799
Type: Neutral
Formula: C19H31NO8
SMILES:   O1C2C(OC1(C)C)C1OC(OC1OC2C(=O)NCCCCCC(OC)=O)(C)C
InChI:   InChI=1/C19H31NO8/c1-18(2)25-12-13(26-18)15-17(28-19(3,4)27-15)24-14(12)16(22)20-10-8-6-7-9-11(21)23-5/h12-15,17H,6-10H2,1-5H3,(H,20,22)/t12-,13+,14+,15+,17-/m0/s1

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Potential Energy
Epot(MMFF94)=182.247 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.456 g/mol  logS: -3.11972  SlogP: 1.2325  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0564864  Sterimol/B1: 2.98145  Sterimol/B2: 4.18518  Sterimol/B3: 5.30803
  Sterimol/B4: 5.70271  Sterimol/L: 21.5236 
 
 Surface and Volume Properties
  Accessible surface: 664.897  Positive charged surface: 496.575  Negative charged surface: 168.322  Volume: 369.875
  Hydrophobic surface: 466.474  Hydrophilic surface: 198.423
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  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: no related molecules available.