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ENAMINE-ZINC03385221

 MMsINC code: MMs01409987
Type: Neutral
Formula: C24H29N3O3
SMILES:   O=C1N(CC(=O)N(Cc2ccccc2)C(C)(C)C)C(=O)NC1(C)c1ccc(cc1)C
InChI:   InChI=1/C24H29N3O3/c1-17-11-13-19(14-12-17)24(5)21(29)26(22(30)25-24)16-20(28)27(23(2,3)4)15-18-9-7-6-8-10-18/h6-14H,15-16H2,1-5H3,(H,25,30)/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.514 g/mol  logS: -5.41963  SlogP: 4.16722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154192  Sterimol/B1: 2.44732  Sterimol/B2: 3.17263  Sterimol/B3: 6.59231
  Sterimol/B4: 7.42469  Sterimol/L: 16.582 
 
 Surface and Volume Properties
  Accessible surface: 669.58  Positive charged surface: 401.505  Negative charged surface: 268.075  Volume: 405.625
  Hydrophobic surface: 514.071  Hydrophilic surface: 155.509
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.