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IBS-ZINC04747299

 MMsINC code: MMs01891671
Type: Neutral
Formula: C14H22N2O4
SMILES:   OC(=O)C(N)C12CC3(CC(C1)CC(C2)C3)C(N)C(O)=O
InChI:   InChI=1/C14H22N2O4/c15-9(11(17)18)13-2-7-1-8(4-13)5-14(3-7,6-13)10(16)12(19)20/h7-10H,1-6,15-16H2,(H,17,18)(H,19,20)/t7-,8+,9-,10-,13+,14-/m0/s1

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Potential Energy
Epot(MMFF94)=90.6871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.34 g/mol  logS: -1.61687  SlogP: 0.3968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.270477  Sterimol/B1: 2.13675  Sterimol/B2: 3.65086  Sterimol/B3: 3.68102
  Sterimol/B4: 6.46814  Sterimol/L: 12.4369 
 
 Surface and Volume Properties
  Accessible surface: 445.467  Positive charged surface: 319.684  Negative charged surface: 125.783  Volume: 256.125
  Hydrophobic surface: 198.314  Hydrophilic surface: 247.153
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.