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PUBCHEM-ZINC05134630

 MMsINC code: MMs03209616
Type: Neutral
Formula: C11H19NO7
SMILES:   OC(=O)C1N(CCC1)CC(=O)C(O)C(O)C(O)CO
InChI:   InChI=1/C11H19NO7/c13-5-8(15)10(17)9(16)7(14)4-12-3-1-2-6(12)11(18)19/h6,8-10,13,15-17H,1-5H2,(H,18,19)/t6-,8+,9+,10+/m0/s1

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Potential Energy
Epot(MMFF94)=90.9584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.273 g/mol  logS: 0.44216  SlogP: -2.8205  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.10235  Sterimol/B1: 2.4242  Sterimol/B2: 3.47878  Sterimol/B3: 4.11071
  Sterimol/B4: 6.13593  Sterimol/L: 14.5626 
 
 Surface and Volume Properties
  Accessible surface: 491.507  Positive charged surface: 342.246  Negative charged surface: 149.261  Volume: 243.875
  Hydrophobic surface: 222.618  Hydrophilic surface: 268.889
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.