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PUBCHEM-ZINC06778908

 MMsINC code: MMs03858938
Type: Neutral
Formula: C18H28N2O3
SMILES:   OCC(NC(=O)C(C)c1ccccc1)C(=O)N(CCC)CCC
InChI:   InChI=1/C18H28N2O3/c1-4-11-20(12-5-2)18(23)16(13-21)19-17(22)14(3)15-9-7-6-8-10-15/h6-10,14,16,21H,4-5,11-13H2,1-3H3,(H,19,22)/t14-,16+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.7194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.433 g/mol  logS: -2.71625  SlogP: 1.9158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113464  Sterimol/B1: 2.33681  Sterimol/B2: 4.07243  Sterimol/B3: 5.20125
  Sterimol/B4: 8.92156  Sterimol/L: 16.3395 
 
 Surface and Volume Properties
  Accessible surface: 622.27  Positive charged surface: 425.239  Negative charged surface: 197.03  Volume: 334.75
  Hydrophobic surface: 470.138  Hydrophilic surface: 152.132
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.