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IBS-ZINC00501339

 MMsINC code: MMs01741387
Type: Neutral
Formula: C19H27NO4
SMILES:   O1N=C(CC1OC(=O)C)c1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C
InChI:   InChI=1/C19H27NO4/c1-11(21)23-16-10-15(20-24-16)12-8-13(18(2,3)4)17(22)14(9-12)19(5,6)7/h8-9,16,22H,10H2,1-7H3/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=107.262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.428 g/mol  logS: -5.29467  SlogP: 4.0008  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122024  Sterimol/B1: 2.25475  Sterimol/B2: 5.32561  Sterimol/B3: 5.62828
  Sterimol/B4: 6.51907  Sterimol/L: 14.698 
 
 Surface and Volume Properties
  Accessible surface: 601.442  Positive charged surface: 384.648  Negative charged surface: 216.794  Volume: 334.375
  Hydrophobic surface: 398.079  Hydrophilic surface: 203.363
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.