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NANOSIN-ZINC01514327

 MMsINC code: MMs02198152
Type: Neutral
Formula: C10H11NO5
SMILES:   Oc1c(C(OC)=O)c(cnc1C)C(OC)=O
InChI:   InChI=1/C10H11NO5/c1-5-8(12)7(10(14)16-3)6(4-11-5)9(13)15-2/h4,12H,1-3H3

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Potential Energy
Epot(MMFF94)=55.1973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.2 g/mol  logS: -0.84164  SlogP: 0.66882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0507386  Sterimol/B1: 2.66241  Sterimol/B2: 3.42103  Sterimol/B3: 3.50923
  Sterimol/B4: 6.72476  Sterimol/L: 11.7624 
 
 Surface and Volume Properties
  Accessible surface: 431.177  Positive charged surface: 335.389  Negative charged surface: 95.7882  Volume: 198.75
  Hydrophobic surface: 323.333  Hydrophilic surface: 107.844
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.