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CHEMDIV-ZINC04894337

 MMsINC code: MMs00961830
Type: Neutral
Formula: C24H28N2O2
SMILES:   O=C1N(Cc2ccc(cc2)C)C(c2c1cccc2)C(=O)NC1CCCCCC1
InChI:   InChI=1/C24H28N2O2/c1-17-12-14-18(15-13-17)16-26-22(20-10-6-7-11-21(20)24(26)28)23(27)25-19-8-4-2-3-5-9-19/h6-7,10-15,19,22H,2-5,8-9,16H2,1H3,(H,25,27)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.4277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.5 g/mol  logS: -5.94817  SlogP: 4.89302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10779  Sterimol/B1: 2.3718  Sterimol/B2: 2.7228  Sterimol/B3: 5.1885
  Sterimol/B4: 9.75518  Sterimol/L: 17.2933 
 
 Surface and Volume Properties
  Accessible surface: 665.398  Positive charged surface: 428.701  Negative charged surface: 236.697  Volume: 382.625
  Hydrophobic surface: 607.178  Hydrophilic surface: 58.22
 
 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.