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ACROSORGANICS-ZINC01530778

 MMsINC code: MMs00008944
Type: Neutral
Formula: C19H20N2O2
SMILES:   O=C1N(N(C(=O)C1CCCC)c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.381 g/mol  logS: -5.26153  SlogP: 3.7878  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.081752  Sterimol/B1: 3.31561  Sterimol/B2: 4.02774  Sterimol/B3: 5.54278
  Sterimol/B4: 5.87836  Sterimol/L: 15.4011 
 
 Surface and Volume Properties
  Accessible surface: 556.4  Positive charged surface: 343.731  Negative charged surface: 212.669  Volume: 311.125
  Hydrophobic surface: 476.189  Hydrophilic surface: 80.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00008945
ACROSORGANICS-ZINC01530778