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PUBCHEM-ZINC00640928

 MMsINC code: MMs02718259
Type: Neutral
Formula: C24H24N2O3
SMILES:   O(C(=O)c1ccc(NC(=O)NC(Cc2ccccc2)c2ccccc2)cc1)CC
InChI:   InChI=1/C24H24N2O3/c1-2-29-23(27)20-13-15-21(16-14-20)25-24(28)26-22(19-11-7-4-8-12-19)17-18-9-5-3-6-10-18/h3-16,22H,2,17H2,1H3,(H2,25,26,28)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.1588 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -5.7344  SlogP: 5.06427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0768472  Sterimol/B1: 3.51854  Sterimol/B2: 4.20978  Sterimol/B3: 6.92175
  Sterimol/B4: 7.34566  Sterimol/L: 18.1495 
 
 Surface and Volume Properties
  Accessible surface: 717.317  Positive charged surface: 430.809  Negative charged surface: 286.508  Volume: 389.875
  Hydrophobic surface: 619.989  Hydrophilic surface: 97.328
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.