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PUBCHEM-ZINC06051310

 MMsINC code: MMs03515836
Type: Neutral
Formula: C19H30N2O3
SMILES:   O(C(=O)C(NC(=O)NCC(CCCC)CC)Cc1ccccc1)C
InChI:   InChI=1/C19H30N2O3/c1-4-6-10-15(5-2)14-20-19(23)21-17(18(22)24-3)13-16-11-8-7-9-12-16/h7-9,11-12,15,17H,4-6,10,13-14H2,1-3H3,(H2,20,21,23)/t15-,17+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.4791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.46 g/mol  logS: -4.6335  SlogP: 3.28627  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.151212  Sterimol/B1: 2.27668  Sterimol/B2: 4.69614  Sterimol/B3: 7.02837
  Sterimol/B4: 7.72071  Sterimol/L: 15.7508 
 
 Surface and Volume Properties
  Accessible surface: 673.498  Positive charged surface: 480.626  Negative charged surface: 192.872  Volume: 353.625
  Hydrophobic surface: 557.56  Hydrophilic surface: 115.938
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.