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ENAMINE-ZINC05310186

 MMsINC code: MMs01607465
Type: Neutral
Formula: C19H21NO5
SMILES:   O(C(=O)c1cc2c(cc1)C(=O)N(CCCC)C2=O)C1CCCCC1=O
InChI:   InChI=1/C19H21NO5/c1-2-3-10-20-17(22)13-9-8-12(11-14(13)18(20)23)19(24)25-16-7-5-4-6-15(16)21/h8-9,11,16H,2-7,10H2,1H3/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=42.5825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.379 g/mol  logS: -4.32808  SlogP: 2.7512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0338169  Sterimol/B1: 2.50424  Sterimol/B2: 2.52804  Sterimol/B3: 4.70929
  Sterimol/B4: 5.57694  Sterimol/L: 20.368 
 
 Surface and Volume Properties
  Accessible surface: 614.726  Positive charged surface: 394.35  Negative charged surface: 220.375  Volume: 325.25
  Hydrophobic surface: 451.789  Hydrophilic surface: 162.937
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.