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ENAMINE-ZINC03516782

 MMsINC code: MMs01486551
Type: Neutral
Formula: C15H22N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NCC=C)C(=O)NC12CCCCC2C
InChI:   InChI=1/C15H22N4O4/c1-3-8-16-13(22)17-11(20)9-19-12(21)15(18-14(19)23)7-5-4-6-10(15)2/h3,10H,1,4-9H2,2H3,(H,18,23)(H2,16,17,20,22)/t10-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=8.91705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.365 g/mol  logS: -2.60473  SlogP: 0.4989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0737275  Sterimol/B1: 2.27716  Sterimol/B2: 3.07546  Sterimol/B3: 5.41779
  Sterimol/B4: 5.84911  Sterimol/L: 17.5521 
 
 Surface and Volume Properties
  Accessible surface: 560.728  Positive charged surface: 385.555  Negative charged surface: 175.173  Volume: 300.375
  Hydrophobic surface: 312.395  Hydrophilic surface: 248.333
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.