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ASINEX-ZINC04355601

 MMsINC code: MMs00326992
Type: Neutral
Formula: C18H32N4O5
SMILES:   O(C(C)(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(C(=O)N)C
InChI:   InChI=1/C18H32N4O5/c1-10(2)13(16(25)20-11(3)14(19)23)21-15(24)12-8-7-9-22(12)17(26)27-18(4,5)6/h10-13H,7-9H2,1-6H3,(H2,19,23)(H,20,25)(H,21,24)/t11-,12+,13+/m1/s1

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Potential Energy
Epot(MMFF94)=82.4713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.477 g/mol  logS: -2.94961  SlogP: 0.5167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0669995  Sterimol/B1: 2.55591  Sterimol/B2: 3.76149  Sterimol/B3: 3.98371
  Sterimol/B4: 8.32341  Sterimol/L: 18.5445 
 
 Surface and Volume Properties
  Accessible surface: 665.511  Positive charged surface: 479.27  Negative charged surface: 186.241  Volume: 374.375
  Hydrophobic surface: 407.086  Hydrophilic surface: 258.425
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.