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IBS-ZINC02101008

 MMsINC code: MMs01785048
Type: Neutral
Formula: C16H27NO6
SMILES:   O1C2C(OC1(C)C)C1OC(OC1OC2C(=O)NCCCC)(C)C
InChI:   InChI=1/C16H27NO6/c1-6-7-8-17-13(18)11-9-10(21-15(2,3)20-9)12-14(19-11)23-16(4,5)22-12/h9-12,14H,6-8H2,1-5H3,(H,17,18)/t9-,10+,11-,12-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=66.155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.393 g/mol  logS: -3.26852  SlogP: 1.2992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0685508  Sterimol/B1: 3.06592  Sterimol/B2: 4.08179  Sterimol/B3: 4.1795
  Sterimol/B4: 7.09476  Sterimol/L: 16.865 
 
 Surface and Volume Properties
  Accessible surface: 582.362  Positive charged surface: 421.8  Negative charged surface: 160.562  Volume: 315.75
  Hydrophobic surface: 405.573  Hydrophilic surface: 176.789
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.