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NCID-ZINC04404234

 MMsINC code: MMs02385095
Type: Neutral
Formula: C10H19NO6
SMILES:   O1CCN(CC1)CC(=O)C(O)C(O)C(O)CO
InChI:   InChI=1/C10H19NO6/c12-6-8(14)10(16)9(15)7(13)5-11-1-3-17-4-2-11/h8-10,12,14-16H,1-6H2/t8-,9+,10-/m1/s1

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Potential Energy
Epot(MMFF94)=102.029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.263 g/mol  logS: 0.6989  SlogP: -3.0373  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.100759  Sterimol/B1: 2.22729  Sterimol/B2: 3.15415  Sterimol/B3: 4.09871
  Sterimol/B4: 4.85688  Sterimol/L: 14.522 
 
 Surface and Volume Properties
  Accessible surface: 454.28  Positive charged surface: 361.309  Negative charged surface: 92.9717  Volume: 227
  Hydrophobic surface: 263.845  Hydrophilic surface: 190.435
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02385096
NCID-ZINC04404234