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MAYBRIDGE-ZINC04321899

 MMsINC code: MMs02165335
Type: Neutral
Formula: C25H26N2O4
SMILES:   O1C2(CCC(C)(C2(C)C)C1=O)C(=O)N1NC(=O)C(C1c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H26N2O4/c1-23(2)24(3)14-15-25(23,31-22(24)30)21(29)27-19(17-12-8-5-9-13-17)18(20(28)26-27)16-10-6-4-7-11-16/h4-13,18-19H,14-15H2,1-3H3,(H,26,28)/t18-,19-,24-,25+/m0/s1

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Potential Energy
Epot(MMFF94)=139.29 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.493 g/mol  logS: -5.23523  SlogP: 3.6023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118628  Sterimol/B1: 4.02965  Sterimol/B2: 4.55177  Sterimol/B3: 5.60706
  Sterimol/B4: 6.95079  Sterimol/L: 16.3674 
 
 Surface and Volume Properties
  Accessible surface: 640.696  Positive charged surface: 360.879  Negative charged surface: 279.818  Volume: 399.875
  Hydrophobic surface: 491.462  Hydrophilic surface: 149.234
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.