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PUBCHEM-ZINC03100359

 MMsINC code: MMs02993554
Type: Neutral
Formula: C20H30N4O4
SMILES:   OCCN1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N1CCN(CC1)CCO
InChI:   InChI=1/C20H30N4O4/c25-15-13-21-5-9-23(10-6-21)19(27)17-1-2-18(4-3-17)20(28)24-11-7-22(8-12-24)14-16-26/h1-4,25-26H,5-16H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=172.596 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.484 g/mol  logS: -1.15354  SlogP: -0.8132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.076934  Sterimol/B1: 2.44009  Sterimol/B2: 3.9828  Sterimol/B3: 4.64551
  Sterimol/B4: 8.00693  Sterimol/L: 18.5033 
 
 Surface and Volume Properties
  Accessible surface: 677.336  Positive charged surface: 540.912  Negative charged surface: 136.424  Volume: 377
  Hydrophobic surface: 507.802  Hydrophilic surface: 169.534
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02993555
PUBCHEM-ZINC03100359