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PUBCHEM-ZINC04308827

 MMsINC code: MMs03113023
Type: Neutral
Formula: C14H22N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NCC)C(=O)NC12CCCCC2C
InChI:   InChI=1/C14H22N4O4/c1-3-15-12(21)16-10(19)8-18-11(20)14(17-13(18)22)7-5-4-6-9(14)2/h9H,3-8H2,1-2H3,(H,17,22)(H2,15,16,19,21)/t9-,14+/m0/s1

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Potential Energy
Epot(MMFF94)=2.84701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.354 g/mol  logS: -2.43571  SlogP: 0.3328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0425621  Sterimol/B1: 3.52887  Sterimol/B2: 4.35731  Sterimol/B3: 4.40455
  Sterimol/B4: 4.49659  Sterimol/L: 17.6266 
 
 Surface and Volume Properties
  Accessible surface: 547.576  Positive charged surface: 380.907  Negative charged surface: 166.669  Volume: 287.5
  Hydrophobic surface: 330.964  Hydrophilic surface: 216.612
 
 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.