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PUBCHEM-ZINC04214336

 MMsINC code: MMs03101948
Type: Neutral
Formula: C20H34N2O4
SMILES:   O=C1NC(=O)NC12CCC(CCCCCC)C2CCCCCCC(O)=O
InChI:   InChI=1/C20H34N2O4/c1-2-3-4-7-10-15-13-14-20(18(25)21-19(26)22-20)16(15)11-8-5-6-9-12-17(23)24/h15-16H,2-14H2,1H3,(H,23,24)(H2,21,22,25,26)/t15-,16+,20+/m0/s1

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Potential Energy
Epot(MMFF94)=20.0463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.502 g/mol  logS: -5.88924  SlogP: 3.9864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0663453  Sterimol/B1: 2.1158  Sterimol/B2: 3.68805  Sterimol/B3: 4.10339
  Sterimol/B4: 12.1042  Sterimol/L: 17.9033 
 
 Surface and Volume Properties
  Accessible surface: 697.334  Positive charged surface: 510.171  Negative charged surface: 187.163  Volume: 372.625
  Hydrophobic surface: 441.28  Hydrophilic surface: 256.054
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03101949
PUBCHEM-ZINC04214336