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MAYBRIDGE-ZINC04301244

 MMsINC code: MMs02164331
Type: Neutral
Formula: C25H31NO3
SMILES:   O(C)c1ccc(cc1)CC1CCC(=NOC(=O)c2ccc(cc2)C(C)(C)C)CC1
InChI:   InChI=1/C25H31NO3/c1-25(2,3)21-11-9-20(10-12-21)24(27)29-26-22-13-5-18(6-14-22)17-19-7-15-23(28-4)16-8-19/h7-12,15-16,18H,5-6,13-14,17H2,1-4H3/b26-22-/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.527 g/mol  logS: -7.1319  SlogP: 5.93837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0339244  Sterimol/B1: 2.31326  Sterimol/B2: 4.91758  Sterimol/B3: 5.06543
  Sterimol/B4: 7.20581  Sterimol/L: 20.2074 
 
 Surface and Volume Properties
  Accessible surface: 720.108  Positive charged surface: 484.841  Negative charged surface: 235.267  Volume: 408.125
  Hydrophobic surface: 603.552  Hydrophilic surface: 116.556
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.