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PUBCHEM-ZINC05907352

 MMsINC code: MMs03439211
Type: Neutral
Formula: C14H26N2O3
SMILES:   OC(=O)C(NC(=O)NC1CCC(CC1)C)C(CC)C
InChI:   InChI=1/C14H26N2O3/c1-4-10(3)12(13(17)18)16-14(19)15-11-7-5-9(2)6-8-11/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t9-,10-,11+,12+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.8822 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.8325  SlogP: 2.3636  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.132872  Sterimol/B1: 2.46262  Sterimol/B2: 3.9795  Sterimol/B3: 4.11669
  Sterimol/B4: 7.40812  Sterimol/L: 14.2547 
 
 Surface and Volume Properties
  Accessible surface: 529.177  Positive charged surface: 375.176  Negative charged surface: 154.001  Volume: 276.125
  Hydrophobic surface: 356.583  Hydrophilic surface: 172.594
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs03439212
PUBCHEM-ZINC05907352