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ASINEX-ZINC04174672

 MMsINC code: MMs00315213
Type: Neutral
Formula: C26H33NO4
SMILES:   O(C(=O)c1cc(N2C(=O)C3C(C4CC3CC4)C2=O)ccc1)C1CC(CCC1C(C)C)C
InChI:   InChI=1/C26H33NO4/c1-14(2)20-10-7-15(3)11-21(20)31-26(30)18-5-4-6-19(13-18)27-24(28)22-16-8-9-17(12-16)23(22)25(27)29/h4-6,13-17,20-23H,7-12H2,1-3H3/t15-,16-,17+,20+,21+,22-,23+/m0/s1

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Potential Energy
Epot(MMFF94)=129.383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.553 g/mol  logS: -7.12639  SlogP: 4.8397  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0721254  Sterimol/B1: 1.98282  Sterimol/B2: 3.88574  Sterimol/B3: 5.03659
  Sterimol/B4: 9.01854  Sterimol/L: 18.0511 
 
 Surface and Volume Properties
  Accessible surface: 694.418  Positive charged surface: 459.746  Negative charged surface: 234.673  Volume: 421.25
  Hydrophobic surface: 550.97  Hydrophilic surface: 143.448
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.