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CHEMDIV-ZINC02913124

 MMsINC code: MMs00889782
Type: Neutral
Formula: C23H34N2O2
SMILES:   O=C1N(Cc2ccc(cc2)CC)C(CC1)(C(=O)NC1CCCCCCC1)C
InChI:   InChI=1/C23H34N2O2/c1-3-18-11-13-19(14-12-18)17-25-21(26)15-16-23(25,2)22(27)24-20-9-7-5-4-6-8-10-20/h11-14,20H,3-10,15-17H2,1-2H3,(H,24,27)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.537 g/mol  logS: -5.64805  SlogP: 4.62557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.224129  Sterimol/B1: 2.47896  Sterimol/B2: 3.88795  Sterimol/B3: 4.27537
  Sterimol/B4: 11.5522  Sterimol/L: 12.5884 
 
 Surface and Volume Properties
  Accessible surface: 616.57  Positive charged surface: 437.001  Negative charged surface: 179.569  Volume: 388.5
  Hydrophobic surface: 527.641  Hydrophilic surface: 88.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.