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ENAMINE-ZINC03508116

 MMsINC code: MMs01481099
Type: Neutral
Formula: C24H23NO3
SMILES:   O(C(=O)Cc1c2c(ccc1)cccc2)CC(=O)NC1CCCc2c1cccc2
InChI:   InChI=1/C24H23NO3/c26-23(25-22-14-6-10-18-8-2-4-13-21(18)22)16-28-24(27)15-19-11-5-9-17-7-1-3-12-20(17)19/h1-5,7-9,11-13,22H,6,10,14-16H2,(H,25,26)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.7425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.452 g/mol  logS: -6.54729  SlogP: 4.21474  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0269823  Sterimol/B1: 2.57763  Sterimol/B2: 3.12573  Sterimol/B3: 3.41935
  Sterimol/B4: 7.48045  Sterimol/L: 19.0148 
 
 Surface and Volume Properties
  Accessible surface: 668.895  Positive charged surface: 406.702  Negative charged surface: 253.351  Volume: 369.125
  Hydrophobic surface: 598.609  Hydrophilic surface: 70.286
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.