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CHEMBRIDGE-ZINC02883720

 MMsINC code: MMs00734945
Type: Neutral
Formula: C23H28N2O3
SMILES:   O(C(C(=O)Nc1ccccc1C(=O)NC1CCCCC1)C)c1ccc(cc1)C
InChI:   InChI=1/C23H28N2O3/c1-16-12-14-19(15-13-16)28-17(2)22(26)25-21-11-7-6-10-20(21)23(27)24-18-8-4-3-5-9-18/h6-7,10-15,17-18H,3-5,8-9H2,1-2H3,(H,24,27)(H,25,26)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.488 g/mol  logS: -5.85009  SlogP: 4.46352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0673765  Sterimol/B1: 2.52019  Sterimol/B2: 2.88519  Sterimol/B3: 5.24235
  Sterimol/B4: 10.4789  Sterimol/L: 18.1558 
 
 Surface and Volume Properties
  Accessible surface: 696.313  Positive charged surface: 453.754  Negative charged surface: 242.559  Volume: 385.375
  Hydrophobic surface: 619.265  Hydrophilic surface: 77.048
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.