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ENAMINE-ZINC03443927

 MMsINC code: MMs01446019
Type: Neutral
Formula: C24H27N3O3
SMILES:   O=C1N(CC(=O)NCCC(c2ccccc2)c2ccccc2)C(=O)NC1(C)C1CC1
InChI:   InChI=1/C24H27N3O3/c1-24(19-12-13-19)22(29)27(23(30)26-24)16-21(28)25-15-14-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3,(H,25,28)(H,26,30)/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.4506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.498 g/mol  logS: -4.83658  SlogP: 3.0453  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0569216  Sterimol/B1: 3.17425  Sterimol/B2: 4.69622  Sterimol/B3: 4.69656
  Sterimol/B4: 5.82005  Sterimol/L: 20.2218 
 
 Surface and Volume Properties
  Accessible surface: 714.065  Positive charged surface: 432.182  Negative charged surface: 281.883  Volume: 402.875
  Hydrophobic surface: 529.39  Hydrophilic surface: 184.675
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.