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CHEMDIV-ZINC06722261

 MMsINC code: MMs01001667
Type: Neutral
Formula: C24H37N3O3
SMILES:   O(C)c1ccccc1N1CCN(CC1)C(=O)C(NC(=O)C1CCC(CC1)C)C(C)C
InChI:   InChI=1/C24H37N3O3/c1-17(2)22(25-23(28)19-11-9-18(3)10-12-19)24(29)27-15-13-26(14-16-27)20-7-5-6-8-21(20)30-4/h5-8,17-19,22H,9-16H2,1-4H3,(H,25,28)/t18-,19+,22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=171.84 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.578 g/mol  logS: -4.85115  SlogP: 3.3109  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0700421  Sterimol/B1: 2.32545  Sterimol/B2: 4.18439  Sterimol/B3: 5.77628
  Sterimol/B4: 6.12862  Sterimol/L: 18.8835 
 
 Surface and Volume Properties
  Accessible surface: 706.267  Positive charged surface: 538.253  Negative charged surface: 168.014  Volume: 426.875
  Hydrophobic surface: 598.339  Hydrophilic surface: 107.928
 
 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.