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CHEMBLOCK-ZINC02997593

 MMsINC code: MMs00534833
Type: Neutral
Formula: C27H29NO2
SMILES:   O(C)c1ccc(cc1)C1(CCCC1)CNC(=O)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C27H29NO2/c1-30-24-16-14-23(15-17-24)27(18-8-9-19-27)20-28-26(29)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-17,25H,8-9,18-20H2,1H3,(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.534 g/mol  logS: -6.44663  SlogP: 5.4553  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.216864  Sterimol/B1: 2.48552  Sterimol/B2: 5.00768  Sterimol/B3: 5.30561
  Sterimol/B4: 9.32237  Sterimol/L: 16.7974 
 
 Surface and Volume Properties
  Accessible surface: 694  Positive charged surface: 447.186  Negative charged surface: 246.813  Volume: 414.625
  Hydrophobic surface: 661.64  Hydrophilic surface: 32.36
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.