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ENAMINE-ZINC03592736

 MMsINC code: MMs01519243
Type: Neutral
Formula: C19H24N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NCc2ccccc2)C(=O)NC12CCCCCC2
InChI:   InChI=1/C19H24N4O4/c24-15(21-17(26)20-12-14-8-4-3-5-9-14)13-23-16(25)19(22-18(23)27)10-6-1-2-7-11-19/h3-5,8-9H,1-2,6-7,10-13H2,(H,22,27)(H2,20,21,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.7864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.425 g/mol  logS: -4.18985  SlogP: 1.9236  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0421308  Sterimol/B1: 3.4845  Sterimol/B2: 3.7146  Sterimol/B3: 4.26502
  Sterimol/B4: 4.55655  Sterimol/L: 20.7978 
 
 Surface and Volume Properties
  Accessible surface: 638.351  Positive charged surface: 407.932  Negative charged surface: 230.419  Volume: 345
  Hydrophobic surface: 459.976  Hydrophilic surface: 178.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.