Molecular Properties | |
SMILES: | O=C(CN1CC(C(=O)Nc2cncc3cc(F)cc(Cl)c23)c2cc(Cl)ccc2S1(=O)=O)NC1COC1 |
MW: | 552.04 |
Fraction sp3: | 0.26 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 117.7 |
cLogP: | 2.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Oxetanes, thietanes
EDJ-MED-9537a89a-3
0.792
EDJ-MED-9537a89a-2
0.769
EDJ-MED-75baa495-1
0.623
EDJ-MED-f9b78f78-6
0.550
EDJ-MED-94fddcec-2
0.536
MIC-UNK-54748b58-1
0.530
EDJ-MED-75baa495-3
0.496
EDJ-MED-75baa495-2
0.484
MAT-POS-81ae2990-2
0.449
ALP-POS-a577c8a2-3
0.449
PET-UNK-5ad1c31a-1
0.446
PET-UNK-5ad1c31a-2
0.446
PET-UNK-5ad1c31a-7
0.446
PET-UNK-5ad1c31a-8
0.446
MAT-POS-81ae2990-8
0.445
EDJ-MED-ede277f6-9
0.444
MAT-POS-81ae2990-5
0.442
EDJ-MED-c82a5324-2
0.437
EDJ-MED-f9b78f78-3
0.436
EDJ-MED-b2a1399d-3
0.435
EDJ-MED-e69ed63d-6
0.434
EDJ-MED-43f8f7d6-6
0.422
EDJ-MED-dac03e7f-7
0.421
MIC-UNK-54748b58-4
0.421
EDJ-MED-c5ca5386-1
0.417
EDJ-MED-b2a1399d-4
0.415
EDJ-MED-94fddcec-3
0.415
EDJ-MED-0186a59b-4
0.413
ALP-POS-a577c8a2-2
0.412
EDG-MED-9fc99cca-2
0.408
EDJ-MED-0186a59b-8
0.402
MIK-ENA-5d9157e9-4
0.402
MIK-ENA-5d9157e9-3
0.402
EDJ-MED-c4e42105-1
0.401
EDG-MED-9fc99cca-1
0.400
EDJ-MED-ede277f6-5
0.397
MIC-UNK-54748b58-3
0.397
BEN-DND-a7517465-3
0.395
MIC-UNK-7574fcc6-2
0.390
EDJ-MED-d165ed91-3
0.390
EDJ-MED-e69ed63d-5
0.390
BEN-DND-a7517465-5
0.383
EDG-MED-ee636701-4
0.381
ALF-EVA-ced740bd-2
0.379
EDJ-MED-ede277f6-7
0.376
EDJ-MED-dac03e7f-3
0.374
MIC-UNK-51049f1a-4
0.369
EDJ-MED-e69ed63d-3
0.366
MIC-UNK-51049f1a-3
0.366
EDJ-MED-d1555997-1
0.365
PET-UNK-b78139fa-7
0.364
EDJ-MED-f9b78f78-5
0.361
PET-UNK-b78139fa-5
0.361
EDJ-MED-e69ed63d-9
0.360
MIC-UNK-51049f1a-2
0.359
MAT-POS-5cd9ea36-13
0.359
MAT-POS-853c0ffa-4
0.358
MIC-UNK-51049f1a-1
0.358
MAT-POS-a334828f-2
0.358
PET-UNK-2c6614b6-6
0.358
EDJ-MED-ede277f6-11
0.358
MAT-POS-e119ab4f-3
0.356
MAT-POS-13080fc6-5
0.356
MAT-POS-81ae2990-1
0.356
EDJ-MED-dac03e7f-6
0.355
MAT-POS-81ae2990-7
0.353
MAT-POS-b4d6b7fc-8
0.353
JOH-UNI-d2a12aa9-1
0.353
PET-UNK-b78139fa-6
0.352
MAT-POS-86c60949-1
0.352
PET-UNK-2c6614b6-5
0.352
EDJ-MED-b7309adf-1
0.352
MAT-POS-81ae2990-4
0.350
BEN-DND-a7517465-2
0.350
ALF-EVA-ced740bd-1
0.349
MAT-POS-666635d5-1
0.348
EDJ-MED-009f762b-5
0.348
EDJ-MED-c3ea9889-4
0.348
EDJ-MED-7889e8da-1
0.346
ALP-POS-6f6ae286-5
0.346
BEN-DND-f06bfa8e-2
0.346
EDJ-MED-0186a59b-1
0.346
EDJ-MED-43f8f7d6-4
0.346
MAT-POS-13080fc6-2
0.346
EDJ-MED-ede277f6-3
0.345
PET-UNK-2c6614b6-7
0.344
BEN-DND-a7517465-1
0.344
ROB-CAM-4c532489-1
0.344
MAT-POS-13080fc6-6
0.343
MIC-UNK-482af05e-2
0.341
MAT-POS-e119ab4f-2
0.341
MAT-POS-c7726e07-3
0.341
MAT-POS-c7726e07-4
0.341
EDG-MED-e300b289-3
0.341
RAL-THA-a9c31980-2
0.341
PET-UNK-c6bcc80b-2
0.341
PET-UNK-c6bcc80b-9
0.341
MIC-UNK-7574fcc6-1
0.339
ALP-POS-a577c8a2-1
0.339
BEN-DND-d6f8d3c6-1
0.339