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PUBCHEM-ZINC02862843

 MMsINC code: MMs02945162
Type: Neutral
Formula: C19H30N2O2
SMILES:   O(CCCCN1CCN(CC1)CC)c1ccccc1C(=O)CC
InChI:   InChI=1/C19H30N2O2/c1-3-18(22)17-9-5-6-10-19(17)23-16-8-7-11-21-14-12-20(4-2)13-15-21/h5-6,9-10H,3-4,7-8,11-16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.3809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.461 g/mol  logS: -2.62467  SlogP: 3.0758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0263184  Sterimol/B1: 1.97358  Sterimol/B2: 2.95094  Sterimol/B3: 3.98556
  Sterimol/B4: 8.60911  Sterimol/L: 19.7885 
 
 Surface and Volume Properties
  Accessible surface: 645.791  Positive charged surface: 509.674  Negative charged surface: 136.117  Volume: 346.25
  Hydrophobic surface: 571.517  Hydrophilic surface: 74.274
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs02945163
PUBCHEM-ZINC02862843