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PUBCHEM-ZINC03088122

 MMsINC code: MMs02991940
Type: Neutral
Formula: C19H30N2O2
SMILES:   O=C(N(C(C)C)C(C)C)c1ccc(NC(=O)CCCCC)cc1
InChI:   InChI=1/C19H30N2O2/c1-6-7-8-9-18(22)20-17-12-10-16(11-13-17)19(23)21(14(2)3)15(4)5/h10-15H,6-9H2,1-5H3,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=278.394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.461 g/mol  logS: -4.69074  SlogP: 4.4644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.045861  Sterimol/B1: 2.73376  Sterimol/B2: 3.862  Sterimol/B3: 4.41527
  Sterimol/B4: 6.46985  Sterimol/L: 19.5431 
 
 Surface and Volume Properties
  Accessible surface: 620.366  Positive charged surface: 430.042  Negative charged surface: 190.323  Volume: 336.5
  Hydrophobic surface: 456.694  Hydrophilic surface: 163.672
 
 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.