Molecular Properties | |
SMILES: | O=C(c1cncc2ccccc12)C(F)(F)C1CN(c2cccc(Cl)c2)C1 |
MW: | 372.08 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 33.2 |
cLogP: | 4.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter64_halo_ketone_sulfone
Ketone
MIC-UNK-c5a20098-3
0.671
MIC-UNK-c5a20098-1
0.548
MAT-POS-54c4bf04-3
0.518
ERI-UCB-d6de1f3c-7
0.468
ERI-UCB-d6de1f3c-2
0.421
ERI-UCB-d6de1f3c-6
0.417
ALP-POS-76eab5ce-2
0.409
MIC-UNK-02d7a284-3
0.406
ERI-UCB-d6de1f3c-5
0.404
MIC-UNK-25b9c114-1
0.402
MIC-UNK-25b9c114-2
0.398
MIC-UNK-02d7a284-1
0.390
MIC-UNK-02d7a284-2
0.373
PET-UNK-b870596d-2
0.365
DAR-DIA-0f7b7cd9-7
0.362
PET-UNK-7be94445-1
0.362
VLA-UCB-1dbca3b4-3
0.362
MAR-UCB-f313ec4d-6
0.360
MIC-UNK-5a93dd5f-1
0.359
DAR-DIA-5d6f1b43-20
0.358
PET-UNK-b870596d-1
0.358
MIC-UNK-9582b2c5-3
0.358
PET-UNK-7be94445-2
0.355
MIC-UNK-9582b2c5-2
0.355
VLA-UNK-58704097-1
0.350
ALF-EVA-a24cc7ce-6
0.350
MIC-UNK-cdc2493e-1
0.350
DAR-DIA-0f7b7cd9-6
0.347
MIC-UNK-b9827f26-2
0.347
DAR-DIA-5d6f1b43-10
0.346
MIC-UNK-5a93dd5f-2
0.346
DAR-DIA-5d6f1b43-18
0.346
ALP-POS-ddb41b15-6
0.344
PET-UNK-8922bd3c-1
0.344
NAU-LAT-56d5284e-7
0.343
DAR-DIA-53551c05-12
0.343
NIR-WEI-acbd6416-1
0.343
DAR-DIA-5d6f1b43-4
0.340
MIC-UNK-bcd487e9-3
0.340
MIC-UNK-cdc2493e-18
0.340
DAR-DIA-5d6f1b43-22
0.340
DAR-DIA-5d6f1b43-19
0.339
ADA-UCB-6c2cb422-1
0.337
DAR-DIA-5d6f1b43-2
0.337
VLA-UCB-1dbca3b4-17
0.337
PET-UNK-4dc48bbe-4
0.337
PET-UNK-4dc48bbe-6
0.337
MIC-UNK-cdc2493e-17
0.337
MIC-UNK-b9827f26-3
0.337
DAR-DIA-5d6f1b43-21
0.336
MIC-UNK-cdc2493e-13
0.336
MAT-POS-173a45da-1
0.333
MAT-POS-d8472c4f-1
0.333
NIR-WEI-acbd6416-2
0.333
MAT-POS-8695a11f-1
0.333
MIC-UNK-cdc2493e-5
0.333
MIC-UNK-b9827f26-5
0.333
VLA-UCB-1dbca3b4-13
0.333
MIC-UNK-cdc2493e-4
0.333
MAT-POS-8695a11f-3
0.333
NAU-LAT-2fed8305-2
0.333
NAU-LAT-56d5284e-6
0.333
FRA-DIA-a1f3a927-1
0.333
MIC-UNK-cdc2493e-14
0.330
VLA-UCB-05e51b3f-14
0.330
JOH-UNI-a38a7bdd-6
0.330
EDJ-MED-c314995a-1
0.330
MIC-UNK-c66144cb-2
0.330
MIC-UNK-cdc2493e-20
0.330
MAT-POS-54c4bf04-2
0.330
MIC-UNK-cdc2493e-6
0.330
PET-UNK-8c422e11-1
0.330
PET-UNK-689df078-3
0.330
JOH-UNI-a38a7bdd-1
0.330
JOH-UNI-a38a7bdd-2
0.330
MIC-UNK-b9827f26-4
0.327
DAR-DIA-5d6f1b43-12
0.327
MIC-UNK-cdc2493e-11
0.327
MAK-UNK-c749d764-31
0.327
PET-UNK-c9c1e0d8-3
0.327
DAR-DIA-5d6f1b43-11
0.327
NAU-LAT-2fed8305-7
0.327
NAU-LAT-2fed8305-1
0.326
ALP-POS-f13221e1-3
0.326
DAR-DIA-5d6f1b43-17
0.324
EDJ-MED-eb111c00-1
0.324
MIC-UNK-91acba05-2
0.324
DAR-DIA-56cf811e-5
0.324
PET-UNK-7b413b46-1
0.324
PET-UNK-7b413b46-5
0.324
MIC-UNK-d36ab305-5
0.324
FRA-DIA-13af2da5-1
0.324
MIC-UNK-b9827f26-1
0.324
DAR-DIA-5d6f1b43-9
0.323
MAT-POS-bb423b95-7
0.323
MIC-UNK-5a93dd5f-3
0.321
ALP-POS-3b848b35-4
0.321
VLA-UCB-34f3ed0c-7
0.321
MIC-UNK-c66144cb-3
0.321
MIC-UNK-bcd487e9-2
0.321