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NCID-ZINC01610595

 MMsINC code: MMs02261435
Type: Neutral
Formula: C29H34O2
SMILES:   O(C)c1c(-c2cc(ccc2C(C)=C)C)c(OCc2ccccc2)ccc1CCCCC
InChI:   InChI=1/C29H34O2/c1-6-7-9-14-24-16-18-27(31-20-23-12-10-8-11-13-23)28(29(24)30-5)26-19-22(4)15-17-25(26)21(2)3/h8,10-13,15-19H,2,6-7,9,14,20H2,1,3-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.594 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.589 g/mol  logS: -9.80228  SlogP: 8.28179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155348  Sterimol/B1: 3.71293  Sterimol/B2: 4.48269  Sterimol/B3: 5.02035
  Sterimol/B4: 7.65367  Sterimol/L: 19.4572 
 
 Surface and Volume Properties
  Accessible surface: 756.14  Positive charged surface: 518.361  Negative charged surface: 237.496  Volume: 455.875
  Hydrophobic surface: 708.534  Hydrophilic surface: 47.606
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.