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PUBCHEM-ZINC06257517

 MMsINC code: MMs03643143
Type: Neutral
Formula: C23H38N2O5
SMILES:   O1C(CC(=O)C=C1C(=O)NC(C(=O)NC1CCCCCCCCCCC1)CO)(C)C
InChI:   InChI=1/C23H38N2O5/c1-23(2)15-18(27)14-20(30-23)22(29)25-19(16-26)21(28)24-17-12-10-8-6-4-3-5-7-9-11-13-17/h14,17,19,26H,3-13,15-16H2,1-2H3,(H,24,28)(H,25,29)/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=163.103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.566 g/mol  logS: -5.90436  SlogP: 2.9049  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.128248  Sterimol/B1: 3.49724  Sterimol/B2: 3.77176  Sterimol/B3: 5.98753
  Sterimol/B4: 6.50164  Sterimol/L: 17.2172 
 
 Surface and Volume Properties
  Accessible surface: 694.77  Positive charged surface: 475.535  Negative charged surface: 219.235  Volume: 423.25
  Hydrophobic surface: 511.594  Hydrophilic surface: 183.176
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.