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NCID-ZINC05888484

 MMsINC code: MMs02510242
Type: Neutral
Formula: C32H32N2O2
SMILES:   O=C(N1CCC(CC1)C1CCN(CC1)C(=O)c1c2c(ccc1)cccc2)c1c2c(ccc1)ccc
c2
InChI:   InChI=1/C32H32N2O2/c35-31(29-13-5-9-25-7-1-3-11-27(25)29)33-19-15-23(16-20-33)24-17-21-34(22-18-24)32(36)30-14-6-10-26-8-2-4-12-28(26)30/h1-14,23-24H,15-22H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=146.288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 476.62 g/mol  logS: -8.27268  SlogP: 6.3976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0923911  Sterimol/B1: 2.30751  Sterimol/B2: 4.25753  Sterimol/B3: 5.52656
  Sterimol/B4: 6.4952  Sterimol/L: 20.2804 
 
 Surface and Volume Properties
  Accessible surface: 765.768  Positive charged surface: 474.386  Negative charged surface: 272.296  Volume: 474.75
  Hydrophobic surface: 714.382  Hydrophilic surface: 51.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.