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ENAMINE-ZINC06506434

 MMsINC code: MMs01664150
Type: Neutral
Formula: C19H18N4O4
SMILES:   O(C(=O)c1n[nH]c2c1cccc2)CC(=O)NC(=O)Nc1ccc(cc1C)C
InChI:   InChI=1/C19H18N4O4/c1-11-7-8-14(12(2)9-11)20-19(26)21-16(24)10-27-18(25)17-13-5-3-4-6-15(13)22-23-17/h3-9H,10H2,1-2H3,(H,22,23)(H2,20,21,24,26)

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Potential Energy
Epot(MMFF94)=93.1396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.377 g/mol  logS: -5.0616  SlogP: 2.68484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00849747  Sterimol/B1: 2.73906  Sterimol/B2: 2.76138  Sterimol/B3: 2.98819
  Sterimol/B4: 6.24047  Sterimol/L: 22.3028 
 
 Surface and Volume Properties
  Accessible surface: 659.857  Positive charged surface: 385.306  Negative charged surface: 268.734  Volume: 337.25
  Hydrophobic surface: 463.431  Hydrophilic surface: 196.426
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.