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CHEMDIV-ZINC00207632

 MMsINC code: MMs00839850
Type: Neutral
Formula: C18H25ClN2O2
SMILES:   Clc1cc(ccc1)C(=O)N1CCC(N2CC(OC(C2)C)C)CC1
InChI:   InChI=1/C18H25ClN2O2/c1-13-11-21(12-14(2)23-13)17-6-8-20(9-7-17)18(22)15-4-3-5-16(19)10-15/h3-5,10,13-14,17H,6-9,11-12H2,1-2H3/t13-,14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.863 g/mol  logS: -3.55548  SlogP: 3.0538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0926477  Sterimol/B1: 3.43073  Sterimol/B2: 4.13249  Sterimol/B3: 4.75081
  Sterimol/B4: 5.85014  Sterimol/L: 16.6161 
 
 Surface and Volume Properties
  Accessible surface: 578.45  Positive charged surface: 368.097  Negative charged surface: 210.353  Volume: 323.375
  Hydrophobic surface: 493.016  Hydrophilic surface: 85.434
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00839851
CHEMDIV-ZINC00207632