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MDPI-ZINC03846298

 MMsINC code: MMs02179767
Type: Neutral
Formula: C30H50O6
SMILES:   O(C(=O)C(C(C(C(=O)C)C(OC1CC(CCC1C(C)C)C)=O)C)C(=O)C)C1CC(CCC
1C(C)C)C
InChI:   InChI=1/C30H50O6/c1-16(2)23-12-10-18(5)14-25(23)35-29(33)27(21(8)31)20(7)28(22(9)32)30(34)36-26-15-19(6)11-13-24(26)17(3)4/h16-20,23-28H,10-15H2,1-9H3/t18-,19-,23-,24-,25-,26-,27+,28+/m1/s1

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Potential Energy
Epot(MMFF94)=135.258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 506.724 g/mol  logS: -7.75139  SlogP: 6.0409  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137617  Sterimol/B1: 3.44185  Sterimol/B2: 4.50435  Sterimol/B3: 6.45551
  Sterimol/B4: 7.66677  Sterimol/L: 18.3365 
 
 Surface and Volume Properties
  Accessible surface: 778.946  Positive charged surface: 530.718  Negative charged surface: 248.228  Volume: 524.25
  Hydrophobic surface: 606.886  Hydrophilic surface: 172.06
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.