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CHEMDIV-ZINC03037276

 MMsINC code: MMs00906319
Type: Neutral
Formula: C25H30N2O2
SMILES:   O=C1N(CC(=O)N(Cc2ccc(cc2)C)C1c1ccccc1C)C1CCCCC1
InChI:   InChI=1/C25H30N2O2/c1-18-12-14-20(15-13-18)16-27-23(28)17-26(21-9-4-3-5-10-21)25(29)24(27)22-11-7-6-8-19(22)2/h6-8,11-15,21,24H,3-5,9-10,16-17H2,1-2H3/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.527 g/mol  logS: -5.82732  SlogP: 4.91014  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137564  Sterimol/B1: 2.9542  Sterimol/B2: 3.51555  Sterimol/B3: 5.83147
  Sterimol/B4: 7.11391  Sterimol/L: 17.1646 
 
 Surface and Volume Properties
  Accessible surface: 620.589  Positive charged surface: 428.083  Negative charged surface: 192.507  Volume: 397.5
  Hydrophobic surface: 562.871  Hydrophilic surface: 57.718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.