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ENAMINE-ZINC03176921

 MMsINC code: MMs01296108
Type: Neutral
Formula: C24H30NO3P
SMILES:   P1(Oc2c(cc(cc2C(C)(C)C)C)Cc2c(O1)c(cc(c2)C)C(C)(C)C)N=C=O
InChI:   InChI=1/C24H30NO3P/c1-15-9-17-13-18-10-16(2)12-20(24(6,7)8)22(18)28-29(25-14-26)27-21(17)19(11-15)23(3,4)5/h9-12H,13H2,1-8H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=270.068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.482 g/mol  logS: -7.69526  SlogP: 6.82311  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.217078  Sterimol/B1: 2.54514  Sterimol/B2: 2.64059  Sterimol/B3: 6.56351
  Sterimol/B4: 7.68935  Sterimol/L: 13.9212 
 
 Surface and Volume Properties
  Accessible surface: 625.061  Positive charged surface: 407.554  Negative charged surface: 217.507  Volume: 403.375
  Hydrophobic surface: 480.562  Hydrophilic surface: 144.499
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.