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CHEMDIV-ZINC03895647

 MMsINC code: MMs00917511
Type: Neutral
Formula: C20H37N3O3
SMILES:   O1CCN(CC1)CCNC(=O)C(NC(=O)C1CCC(CC1)CC)C(C)C
InChI:   InChI=1/C20H37N3O3/c1-4-16-5-7-17(8-6-16)19(24)22-18(15(2)3)20(25)21-9-10-23-11-13-26-14-12-23/h15-18H,4-14H2,1-3H3,(H,21,25)(H,22,24)/t16-,17+,18-/m1/s1

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Potential Energy
Epot(MMFF94)=89.1297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.534 g/mol  logS: -3.74076  SlogP: 1.792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0703942  Sterimol/B1: 2.33701  Sterimol/B2: 3.68807  Sterimol/B3: 4.06882
  Sterimol/B4: 10.2432  Sterimol/L: 17.4491 
 
 Surface and Volume Properties
  Accessible surface: 677.194  Positive charged surface: 546.186  Negative charged surface: 131.008  Volume: 385.125
  Hydrophobic surface: 561.136  Hydrophilic surface: 116.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00917512
CHEMDIV-ZINC03895647