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ANALYTICONDISCOVERY-ZINC05434240

 MMsINC code: MMs00038151
Type: Neutral
Formula: C20H32N4O5
SMILES:   O=C1NCCCC1NC(=O)C1N(CCN(C1)C(=O)COC)C(=O)C1CCCCC1
InChI:   InChI=1/C20H32N4O5/c1-29-13-17(25)23-10-11-24(20(28)14-6-3-2-4-7-14)16(12-23)19(27)22-15-8-5-9-21-18(15)26/h14-16H,2-13H2,1H3,(H,21,26)(H,22,27)/t15-,16+/m0/s1

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Potential Energy
Epot(MMFF94)=143.564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.499 g/mol  logS: -2.76722  SlogP: -0.3527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0913747  Sterimol/B1: 3.19398  Sterimol/B2: 4.00707  Sterimol/B3: 4.74023
  Sterimol/B4: 9.85776  Sterimol/L: 17.1273 
 
 Surface and Volume Properties
  Accessible surface: 668.046  Positive charged surface: 533.151  Negative charged surface: 134.895  Volume: 388.125
  Hydrophobic surface: 524.261  Hydrophilic surface: 143.785
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.