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CHEMDIV-ZINC03910077

 MMsINC code: MMs00920726
Type: Neutral
Formula: C24H28N2O2
SMILES:   O=C1N2C(c3c(CC2)cccc3)C(c2c1cccc2)C(=O)N(CCCC)CC
InChI:   InChI=1/C24H28N2O2/c1-3-5-15-25(4-2)24(28)21-19-12-8-9-13-20(19)23(27)26-16-14-17-10-6-7-11-18(17)22(21)26/h6-13,21-22H,3-5,14-16H2,1-2H3/t21-,22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=191.363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.5 g/mol  logS: -4.87321  SlogP: 4.26747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.264964  Sterimol/B1: 2.26673  Sterimol/B2: 6.68497  Sterimol/B3: 6.73543
  Sterimol/B4: 7.76675  Sterimol/L: 14.3852 
 
 Surface and Volume Properties
  Accessible surface: 609.397  Positive charged surface: 403.43  Negative charged surface: 205.967  Volume: 377.125
  Hydrophobic surface: 522.307  Hydrophilic surface: 87.09
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.