Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C)(C(=O)Nc2cncc3cccc(Cl)c23)c2cc(Cl)ccc2C1=O |
MW: | 470.09 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 3.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-a334828f-1
1.000
MAT-POS-a334828f-2
0.776
MAT-POS-853c0ffa-4
0.776
ALP-POS-e266d783-1
0.673
MAT-POS-853c0ffa-2
0.673
LUO-POS-868e8996-5
0.673
LUO-POS-868e8996-6
0.673
EDJ-MED-43f8f7d6-5
0.673
MAT-POS-a334828f-3
0.638
EDJ-MED-c3ea9889-4
0.604
MAT-POS-666635d5-1
0.604
RAL-THA-a9c31980-7
0.573
MAT-POS-1d5ab790-3
0.554
MAT-POS-853c0ffa-1
0.554
MIK-ENA-5d9157e9-3
0.545
EDJ-MED-0186a59b-8
0.545
MIK-ENA-5d9157e9-4
0.545
MAT-POS-c88128cb-15
0.491
EDJ-MED-015fb6b4-1
0.483
PET-UNK-7955f415-2
0.479
PET-UNK-7955f415-4
0.479
PET-UNK-7955f415-3
0.474
PET-UNK-7955f415-1
0.474
JOH-UNI-06d7cc04-1
0.462
EDJ-MED-c3ea9889-8
0.455
EDJ-MED-ce467fd5-3
0.451
PET-UNK-14142a25-10
0.444
EDJ-MED-8bb691af-8
0.444
PET-UNK-14142a25-1
0.444
MIK-ENA-37e0b697-1
0.444
LUO-POS-9931618f-1
0.444
MIK-ENA-794411b8-1
0.444
LUO-POS-9931618f-2
0.444
EDJ-MED-0186a59b-4
0.441
MIC-UNK-51049f1a-2
0.441
PET-UNK-14142a25-11
0.430
PET-UNK-14142a25-2
0.430
PET-UNK-14142a25-4
0.427
PET-UNK-14142a25-13
0.427
MAT-POS-e119ab4f-3
0.425
EDJ-MED-8bb691af-7
0.421
EDG-MED-b1ef7fe3-1
0.420
LUO-POS-8c3e556a-1
0.420
EDG-MED-b1ef7fe3-4
0.420
LUO-POS-8c3e556a-2
0.420
MIC-UNK-eb20c3e1-2
0.419
PET-UNK-14142a25-17
0.419
PET-UNK-14142a25-8
0.419
PET-UNK-4c71d490-3
0.419
PET-UNK-4c71d490-7
0.419
MAT-POS-1bed62cf-2
0.418
LUO-POS-868e8996-7
0.418
LUO-POS-868e8996-8
0.418
EDJ-MED-fd8ed875-3
0.418
EDJ-MED-75baa495-3
0.417
PET-UNK-4c71d490-1
0.416
PET-UNK-4c71d490-5
0.416
MIC-UNK-51049f1a-1
0.415
EDJ-MED-a6bd6de0-1
0.413
EDJ-MED-b0f3342b-1
0.413
EDJ-MED-fed7ac0b-1
0.411
EDJ-MED-fed7ac0b-4
0.411
PET-UNK-c6bcc80b-6
0.411
PET-UNK-c6bcc80b-13
0.411
MAT-POS-38eb6498-6
0.408
EDJ-MED-a12e3a20-2
0.407
EDJ-MED-fd8ed875-5
0.405
EDJ-MED-8bb691af-9
0.403
EDG-MED-b1ef7fe3-2
0.403
EDJ-MED-b6c6ee2b-6
0.403
MIC-UNK-50cce87d-2
0.402
EDJ-MED-6ab52e52-1
0.402
EDG-MED-b1ef7fe3-3
0.400
EDJ-MED-fd8ed875-1
0.400
MAT-POS-ddfe83c6-1
0.397
ALP-POS-e266d783-2
0.397
MAT-POS-89bd6af1-3
0.397
MAT-UNK-28cf4d29-1
0.397
MIC-UNK-e8d6fb58-2
0.393
JOH-UNI-06346b80-1
0.391
PET-UNK-14142a25-6
0.391
PET-UNK-14142a25-15
0.391
DAR-DIA-9f765dc6-18
0.390
DAR-DIA-9f765dc6-16
0.390
DAR-DIA-9f765dc6-17
0.390
MAT-POS-81ae2990-1
0.389
EDJ-MED-ede277f6-5
0.389
MIK-ENA-e76e31f3-1
0.388
MAT-POS-e119ab4f-5
0.388
MIK-ENA-f5fe7855-1
0.388
LUO-POS-868e8996-1
0.388
MIK-ENA-d22671f7-1
0.388
LUO-POS-868e8996-2
0.388
EDJ-MED-7d88f880-1
0.388
DAR-DIA-9f765dc6-15
0.387
DAR-DIA-9f765dc6-13
0.387
DAR-DIA-9f765dc6-14
0.387
BEN-DND-a7517465-3
0.386
MAT-POS-b4d6b7fc-6
0.381
MAT-POS-1d5ab790-2
0.381