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PUBCHEM-ZINC04186603

 MMsINC code: MMs03097222
Type: Neutral
Formula: C30H32N4O3
SMILES:   O(C)c1cc(OC)ccc1-c1nn(c(c1)C(=O)N1CCN(CC1)c1ccccc1C)-c1ccc(c
c1)C
InChI:   InChI=1/C30H32N4O3/c1-21-9-11-23(12-10-21)34-28(20-26(31-34)25-14-13-24(36-3)19-29(25)37-4)30(35)33-17-15-32(16-18-33)27-8-6-5-7-22(27)2/h5-14,19-20H,15-18H2,1-4H3

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Potential Energy
Epot(MMFF94)=243.391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 496.611 g/mol  logS: -6.73277  SlogP: 5.13574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.063319  Sterimol/B1: 2.26536  Sterimol/B2: 4.20482  Sterimol/B3: 4.3491
  Sterimol/B4: 16.055  Sterimol/L: 17.9941 
 
 Surface and Volume Properties
  Accessible surface: 826.435  Positive charged surface: 578.482  Negative charged surface: 247.953  Volume: 491.75
  Hydrophobic surface: 770.255  Hydrophilic surface: 56.18
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.