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CHEMDIV-ZINC06874526

 MMsINC code: MMs01050451
Type: Neutral
Formula: C19H24N2O2
SMILES:   O=C1N(c2c(CC1)cccc2)CC(=O)NCCC=1CCCCC=1
InChI:   InChI=1/C19H24N2O2/c22-18(20-13-12-15-6-2-1-3-7-15)14-21-17-9-5-4-8-16(17)10-11-19(21)23/h4-6,8-9H,1-3,7,10-14H2,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.413 g/mol  logS: -3.68669  SlogP: 2.97247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0773441  Sterimol/B1: 2.41544  Sterimol/B2: 3.41682  Sterimol/B3: 4.07858
  Sterimol/B4: 7.39256  Sterimol/L: 16.4252 
 
 Surface and Volume Properties
  Accessible surface: 598.641  Positive charged surface: 411.234  Negative charged surface: 187.407  Volume: 318.125
  Hydrophobic surface: 505.683  Hydrophilic surface: 92.958
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.