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PUBCHEM-ZINC04189356

 MMsINC code: MMs03097681
Type: Neutral
Formula: C29H30N4O3
SMILES:   O(C)c1cc(OC)ccc1-c1nn(c(c1)C(=O)N1CCN(CC1)c1ccccc1C)-c1ccccc
1
InChI:   InChI=1/C29H30N4O3/c1-21-9-7-8-12-26(21)31-15-17-32(18-16-31)29(34)27-20-25(30-33(27)22-10-5-4-6-11-22)24-14-13-23(35-2)19-28(24)36-3/h4-14,19-20H,15-18H2,1-3H3

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Potential Energy
Epot(MMFF94)=238.674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.584 g/mol  logS: -6.25885  SlogP: 4.82732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0968025  Sterimol/B1: 2.94904  Sterimol/B2: 5.05031  Sterimol/B3: 6.27009
  Sterimol/B4: 11.4974  Sterimol/L: 17.7956 
 
 Surface and Volume Properties
  Accessible surface: 802.793  Positive charged surface: 558.465  Negative charged surface: 244.328  Volume: 473.375
  Hydrophobic surface: 743.915  Hydrophilic surface: 58.878
 
 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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.