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NCID-ZINC05105316

 MMsINC code: MMs02441643
Type: Neutral
Formula: C14H22N2O4
SMILES:   O=C1N(CC(O)=O)C(=O)NC12CC(CCC2C(C)C)C
InChI:   InChI=1/C14H22N2O4/c1-8(2)10-5-4-9(3)6-14(10)12(19)16(7-11(17)18)13(20)15-14/h8-10H,4-7H2,1-3H3,(H,15,20)(H,17,18)/t9-,10+,14+/m1/s1

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Potential Energy
Epot(MMFF94)=51.7364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.34 g/mol  logS: -3.2489  SlogP: 1.4538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167819  Sterimol/B1: 2.514  Sterimol/B2: 3.76042  Sterimol/B3: 4.1557
  Sterimol/B4: 7.02362  Sterimol/L: 13.6392 
 
 Surface and Volume Properties
  Accessible surface: 468.003  Positive charged surface: 311.985  Negative charged surface: 156.018  Volume: 264.625
  Hydrophobic surface: 251.656  Hydrophilic surface: 216.347
 
 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


MMs02441644
NCID-ZINC05105316