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NCID-ZINC05663069

 MMsINC code: MMs02484029
Type: Neutral
Formula: C11H20N2O3
SMILES:   OC(=O)C1N(CCC1)C(=O)C(N)C(CC)C
InChI:   InChI=1/C11H20N2O3/c1-3-7(2)9(12)10(14)13-6-4-5-8(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t7-,8+,9+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.14267  SlogP: 0.4354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202294  Sterimol/B1: 2.17859  Sterimol/B2: 3.50483  Sterimol/B3: 5.02445
  Sterimol/B4: 5.7463  Sterimol/L: 12.2322 
 
 Surface and Volume Properties
  Accessible surface: 433.982  Positive charged surface: 313.379  Negative charged surface: 120.603  Volume: 228.25
  Hydrophobic surface: 252.102  Hydrophilic surface: 181.88
 
 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.