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NANOSIN-ZINC01507653

 MMsINC code: MMs02195526
Type: Neutral
Formula: C19H21NO3
SMILES:   OC12CC3(CC(C1)CC(C3)C2)CN1C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C19H21NO3/c21-16-14-3-1-2-4-15(14)17(22)20(16)11-18-6-12-5-13(7-18)9-19(23,8-12)10-18/h1-4,12-13,23H,5-11H2/t12-,13+,18+,19-

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Potential Energy
Epot(MMFF94)=64.9012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.381 g/mol  logS: -3.80633  SlogP: 2.6139  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155622  Sterimol/B1: 3.30525  Sterimol/B2: 3.59681  Sterimol/B3: 4.68252
  Sterimol/B4: 4.69024  Sterimol/L: 14.6714 
 
 Surface and Volume Properties
  Accessible surface: 498.811  Positive charged surface: 329.927  Negative charged surface: 168.884  Volume: 290.875
  Hydrophobic surface: 398.854  Hydrophilic surface: 99.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.