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ENAMINE-ZINC06509624

 MMsINC code: MMs01666025
Type: Neutral
Formula: C23H34N2O3
SMILES:   O(C)c1ccc(cc1)C1N(CCCC)C(=O)CC1C(=O)NC1CCCCCC1
InChI:   InChI=1/C23H34N2O3/c1-3-4-15-25-21(26)16-20(22(25)17-11-13-19(28-2)14-12-17)23(27)24-18-9-7-5-6-8-10-18/h11-14,18,20,22H,3-10,15-16H2,1-2H3,(H,24,27)/t20-,22+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.2868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.536 g/mol  logS: -4.46577  SlogP: 4.3194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0668733  Sterimol/B1: 2.57535  Sterimol/B2: 3.92185  Sterimol/B3: 4.50404
  Sterimol/B4: 8.71686  Sterimol/L: 18.1396 
 
 Surface and Volume Properties
  Accessible surface: 690.728  Positive charged surface: 514.504  Negative charged surface: 176.224  Volume: 398.125
  Hydrophobic surface: 590.714  Hydrophilic surface: 100.014
 
 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.