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CHEMDIV-ZINC02952408

 MMsINC code: MMs00897433
Type: Neutral
Formula: C23H27N3O5
SMILES:   O(CC)c1cc2c(NC(=O)N(Cc3ccc(cc3)C(=O)NC(C)C)C2=O)cc1OCC
InChI:   InChI=1/C23H27N3O5/c1-5-30-19-11-17-18(12-20(19)31-6-2)25-23(29)26(22(17)28)13-15-7-9-16(10-8-15)21(27)24-14(3)4/h7-12,14H,5-6,13H2,1-4H3,(H,24,27)(H,25,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.0113 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.485 g/mol  logS: -5.15554  SlogP: 4.0765  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102647  Sterimol/B1: 2.53299  Sterimol/B2: 2.5566  Sterimol/B3: 7.07871
  Sterimol/B4: 9.25784  Sterimol/L: 20.1539 
 
 Surface and Volume Properties
  Accessible surface: 744.096  Positive charged surface: 502.853  Negative charged surface: 241.243  Volume: 405.5
  Hydrophobic surface: 518.033  Hydrophilic surface: 226.063
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.