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PUBCHEM-ZINC00930868

 MMsINC code: MMs02743529
Type: Neutral
Formula: C29H30FN3O4
SMILES:   Fc1ccc(cc1)C(N(C(=O)C1Oc2c(OC1)cccc2)Cc1cccnc1)C(=O)NC1CCCCC
1
InChI:   InChI=1/C29H30FN3O4/c30-22-14-12-21(13-15-22)27(28(34)32-23-8-2-1-3-9-23)33(18-20-7-6-16-31-17-20)29(35)26-19-36-24-10-4-5-11-25(24)37-26/h4-7,10-17,23,26-27H,1-3,8-9,18-19H2,(H,32,34)/t26-,27-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=197.618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 503.574 g/mol  logS: -5.91741  SlogP: 4.9414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152694  Sterimol/B1: 3.04801  Sterimol/B2: 4.99156  Sterimol/B3: 6.01423
  Sterimol/B4: 9.4581  Sterimol/L: 19.4158 
 
 Surface and Volume Properties
  Accessible surface: 770.47  Positive charged surface: 498.231  Negative charged surface: 272.239  Volume: 469
  Hydrophobic surface: 696.107  Hydrophilic surface: 74.363
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.