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CHEMDIV-ZINC01017264

 MMsINC code: MMs00861536
Type: Neutral
Formula: C23H29NO3
SMILES:   O(C)c1cc(ccc1OC)C1(CCCC1)C(=O)NC(Cc1ccccc1)C
InChI:   InChI=1/C23H29NO3/c1-17(15-18-9-5-4-6-10-18)24-22(25)23(13-7-8-14-23)19-11-12-20(26-2)21(16-19)27-3/h4-6,9-12,16-17H,7-8,13-15H2,1-3H3,(H,24,25)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.489 g/mol  logS: -5.18176  SlogP: 4.26297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152848  Sterimol/B1: 2.19539  Sterimol/B2: 3.45271  Sterimol/B3: 5.24131
  Sterimol/B4: 8.59313  Sterimol/L: 15.9189 
 
 Surface and Volume Properties
  Accessible surface: 627.711  Positive charged surface: 448.195  Negative charged surface: 179.515  Volume: 381.75
  Hydrophobic surface: 572.559  Hydrophilic surface: 55.152
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.