Molecular Properties | |
SMILES: | O=C(c1cncc2ccccc12)C(F)(F)CC1CN(c2cccc(Cl)c2)C1 |
MW: | 386.1 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 33.2 |
cLogP: | 5.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter64_halo_ketone_sulfone
Ketone
MIC-UNK-c5a20098-2
0.671
MIC-UNK-c5a20098-1
0.529
MAT-POS-54c4bf04-3
0.500
ERI-UCB-d6de1f3c-7
0.439
MIC-UNK-02d7a284-3
0.434
ERI-UCB-d6de1f3c-6
0.431
ERI-UCB-d6de1f3c-5
0.418
ALP-POS-76eab5ce-2
0.411
ERI-UCB-d6de1f3c-2
0.408
MIC-UNK-25b9c114-1
0.404
MIC-UNK-25b9c114-2
0.400
MIC-UNK-02d7a284-1
0.393
NAU-LAT-56d5284e-6
0.390
MIC-UNK-02d7a284-2
0.387
PET-UNK-b870596d-1
0.361
JOH-UNI-a38a7bdd-1
0.360
VLA-UNK-58704097-1
0.353
ALF-EVA-a24cc7ce-6
0.352
PET-UNK-7be94445-1
0.351
VLA-UCB-1dbca3b4-3
0.351
MIC-UNK-b9827f26-5
0.349
MIC-UNK-9582b2c5-3
0.348
MAR-UCB-f313ec4d-6
0.348
PET-UNK-8922bd3c-1
0.347
MAT-POS-54c4bf04-2
0.346
JOH-UNI-a38a7bdd-6
0.346
PET-UNK-7be94445-2
0.344
MIC-UNK-bcd487e9-3
0.343
ADA-UCB-6c2cb422-1
0.340
PET-UNK-b870596d-2
0.340
MIC-UNK-b9827f26-3
0.340
MIC-UNK-cdc2493e-1
0.340
DAR-DIA-56cf811e-5
0.340
DAR-DIA-0f7b7cd9-6
0.337
DAR-DIA-0f7b7cd9-7
0.337
MIC-UNK-b9827f26-2
0.337
MIC-UNK-5a93dd5f-1
0.336
DAR-DIA-5d6f1b43-20
0.336
ALP-POS-ddb41b15-6
0.333
MIC-UNK-9582b2c5-2
0.333
NAU-LAT-56d5284e-7
0.333
NIR-WEI-acbd6416-1
0.333
JOH-UNI-a38a7bdd-2
0.333
MAT-POS-4223bc15-26
0.330
DAR-DIA-5d6f1b43-19
0.330
MIC-UNK-b9827f26-4
0.330
JOH-UNI-a38a7bdd-5
0.330
DAR-DIA-5d6f1b43-4
0.330
NAU-LAT-2fed8305-7
0.330
NAU-LAT-2fed8305-1
0.330
PET-UNK-4dc48bbe-6
0.327
VLA-UCB-1dbca3b4-17
0.327
DAR-DIA-5d6f1b43-2
0.327
MAT-POS-bb423b95-7
0.327
MIC-UNK-c66144cb-3
0.324
ALP-POS-3b848b35-4
0.324
EDJ-MED-0047eae5-1
0.324
MAT-POS-173a45da-1
0.324
MIC-UNK-bcd487e9-2
0.324
DAR-DIA-5d6f1b43-10
0.324
DAR-DIA-5d6f1b43-18
0.324
MIC-UNK-5a93dd5f-2
0.324
FRA-DIA-a1f3a927-1
0.324
NIR-WEI-acbd6416-2
0.324
VLA-UCB-1dbca3b4-13
0.324
MAT-POS-d8472c4f-1
0.324
MAT-POS-8695a11f-1
0.324
MAT-POS-8695a11f-3
0.324
NAU-LAT-2fed8305-2
0.323
DAR-DIA-6a49afbe-1
0.323
EDJ-MED-c314995a-1
0.321
VLA-UCB-05e51b3f-14
0.321
DAR-DIA-53551c05-12
0.321
VLA-UCB-05e51b3f-16
0.320
DAR-DIA-076fb6ea-1
0.320
PET-UNK-689df078-3
0.320
PET-UNK-8c422e11-1
0.320
PET-UNK-6c2be958-1
0.320
VLA-UCB-05e51b3f-15
0.320
VLA-UCB-05e51b3f-17
0.320
DAR-DIA-5d6f1b43-22
0.318
MIC-UNK-cdc2493e-18
0.318
MAK-UNK-c749d764-31
0.318
RAL-THA-2d450e86-25
0.316
PET-UNK-dd44aeb6-1
0.316
ALP-POS-f13221e1-3
0.316
ADA-UCB-dc2b944c-6
0.316
DAR-DIA-5d6f1b43-21
0.315
DAR-DIA-5d6f1b43-17
0.315
VLA-UCB-34f3ed0c-6
0.315
MIC-UNK-cdc2493e-17
0.315
EDJ-MED-ee07cf00-14
0.315
MIC-UNK-b9827f26-1
0.314
PET-UNK-4dc48bbe-4
0.314
DAR-DIA-5d6f1b43-9
0.314
EDJ-MED-0047eae5-2
0.313
VLA-UCB-34f3ed0c-7
0.312
EDJ-MED-eb111c00-3
0.312
ALP-POS-d054b76b-1
0.312
DAR-DIA-0f2f46c9-10
0.312