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CHEMDIV-ZINC06737874

 MMsINC code: MMs01006140
Type: Neutral
Formula: C24H25N3O3
SMILES:   O1CCN(CC1)c1c2c3c(noc3-c3c(cccc3)C2=O)c(N2CCC(CC2)C)c1
InChI:   InChI=1/C24H25N3O3/c1-15-6-8-26(9-7-15)19-14-18(27-10-12-29-13-11-27)20-21-22(19)25-30-24(21)17-5-3-2-4-16(17)23(20)28/h2-5,14-15H,6-13H2,1H3

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Potential Energy
Epot(MMFF94)=257.039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.482 g/mol  logS: -6.11607  SlogP: 4.1121  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0775004  Sterimol/B1: 3.61082  Sterimol/B2: 3.63429  Sterimol/B3: 4.67771
  Sterimol/B4: 7.92859  Sterimol/L: 17.534 
 
 Surface and Volume Properties
  Accessible surface: 646.865  Positive charged surface: 467.565  Negative charged surface: 174.012  Volume: 382.125
  Hydrophobic surface: 537.354  Hydrophilic surface: 109.511
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.