Molecular Properties | |
SMILES: | CC(C)(C)NC(=O)CN1CC(C(=O)Nc2cncc3cc(F)cc(Cl)c23)c2cc(Cl)ccc2S1(=O)=O |
MW: | 552.08 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 108.47 |
cLogP: | 4.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
EDJ-MED-9537a89a-3
0.844
EDJ-MED-9537a89a-1
0.769
EDJ-MED-75baa495-2
0.609
EDJ-MED-f9b78f78-6
0.571
MIC-UNK-54748b58-1
0.564
EDJ-MED-94fddcec-2
0.557
EDJ-MED-75baa495-3
0.526
EDJ-MED-75baa495-1
0.484
MAT-POS-81ae2990-2
0.475
MAT-POS-81ae2990-5
0.468
ALP-POS-a577c8a2-3
0.463
PET-UNK-5ad1c31a-1
0.462
PET-UNK-5ad1c31a-2
0.462
PET-UNK-5ad1c31a-7
0.462
PET-UNK-5ad1c31a-8
0.462
MAT-POS-81ae2990-8
0.460
EDJ-MED-f9b78f78-3
0.451
MIC-UNK-54748b58-4
0.446
ALP-POS-a577c8a2-2
0.439
EDJ-MED-0186a59b-4
0.438
EDJ-MED-c5ca5386-1
0.433
EDJ-MED-94fddcec-3
0.430
EDJ-MED-0186a59b-8
0.426
MIK-ENA-5d9157e9-3
0.426
MIK-ENA-5d9157e9-4
0.426
MIC-UNK-54748b58-3
0.421
EDJ-MED-ede277f6-5
0.421
EDJ-MED-e69ed63d-11
0.413
EDJ-MED-ede277f6-9
0.413
RAL-THA-a9c31980-4
0.403
EDJ-MED-c99b2211-2
0.403
MIC-UNK-51049f1a-4
0.392
ALF-EVA-ced740bd-2
0.392
MIC-UNK-51049f1a-3
0.388
BEN-DND-a7517465-3
0.385
EDJ-MED-c3ea9889-4
0.381
MAT-POS-666635d5-1
0.381
MIC-UNK-51049f1a-2
0.381
MAT-POS-a334828f-2
0.380
MAT-POS-853c0ffa-4
0.380
MIC-UNK-51049f1a-1
0.380
MIC-UNK-7574fcc6-2
0.379
EDJ-MED-ede277f6-11
0.379
MAT-POS-e119ab4f-3
0.378
EDJ-MED-d1555997-1
0.377
MAT-POS-81ae2990-1
0.377
PET-UNK-b78139fa-7
0.376
EDJ-MED-d165ed91-4
0.374
EDJ-MED-c99b2211-4
0.374
EDJ-MED-e69ed63d-12
0.374
EDJ-MED-c4e42105-2
0.373
MAT-POS-81ae2990-4
0.371
EDJ-MED-009f762b-5
0.370
PET-UNK-2c6614b6-6
0.370
MAT-POS-13080fc6-5
0.366
ROB-CAM-4c532489-1
0.366
EDJ-MED-ede277f6-3
0.366
PET-UNK-b78139fa-6
0.364
MAT-POS-13080fc6-6
0.364
MAT-POS-81ae2990-7
0.364
MAT-POS-b4d6b7fc-8
0.364
JOH-UNI-d2a12aa9-1
0.363
MAT-POS-e119ab4f-2
0.362
MAT-POS-c7726e07-3
0.362
MAT-POS-c7726e07-4
0.362
BEN-DND-a7517465-5
0.361
PET-UNK-b78139fa-5
0.361
EDJ-MED-d1555997-2
0.361
MAT-POS-97ec4bd1-3
0.359
EDJ-MED-7889e8da-1
0.357
ALP-POS-6f6ae286-5
0.357
BEN-DND-f06bfa8e-2
0.357
EDJ-MED-0186a59b-1
0.357
MAT-POS-13080fc6-2
0.356
PET-UNK-2c6614b6-7
0.355
MAT-POS-13080fc6-4
0.353
PET-UNK-b78139fa-4
0.353
MAT-POS-86c60949-1
0.352
EDJ-MED-b7309adf-1
0.352
PET-UNK-2c6614b6-5
0.352
MAT-POS-4223bc15-23
0.352
MAT-POS-4223bc15-27
0.352
MIC-UNK-482af05e-2
0.352
MAT-POS-8293a91a-5
0.352
MAT-POS-8293a91a-4
0.352
MIC-UNK-7574fcc6-1
0.351
EDJ-MED-c82a5324-3
0.351
MAT-POS-97ec4bd1-4
0.351
PET-UNK-c6bcc80b-2
0.351
PET-UNK-c6bcc80b-9
0.351
EDJ-MED-f9b78f78-5
0.350
EDJ-MED-e18764cb-2
0.350
ALP-POS-a577c8a2-1
0.350
MAT-POS-af1eef35-3
0.350
BEN-DND-d6f8d3c6-1
0.350
ALF-EVA-ced740bd-1
0.350
EDJ-MED-f9b78f78-1
0.350
PET-UNK-162c14b2-2
0.349
JOH-UNI-ededfdb6-1
0.349
EDJ-MED-e69ed63d-7
0.348