Molecular Properties | |
SMILES: | Cc1c(C(=O)CCl)cc(Cc2cccc(Cl)c2)n1NC(=O)c1n[nH]c(=O)c2ccccc12 |
MW: | 468.08 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 96.85 |
cLogP: | 4.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
Filter64_halo_ketone_sulfone
Ketone
DAR-DIA-bd041b9b-32
0.728
TAT-ENA-80bfd3e5-37
0.618
MAT-POS-fa06b69f-9
0.618
DAR-DIA-bd041b9b-5
0.606
DAR-DIA-bd041b9b-6
0.562
DAR-DIA-bd041b9b-7
0.553
DAR-DIA-bd041b9b-3
0.529
DAR-DIA-bd041b9b-27
0.519
DAR-DIA-bd041b9b-23
0.489
DAR-DIA-bd041b9b-4
0.455
DAR-DIA-bd041b9b-33
0.434
UNK-UNK-2ede4078-28
0.430
DAR-DIA-bd041b9b-34
0.427
DAR-DIA-bd041b9b-16
0.404
DAR-DIA-bd041b9b-24
0.386
UNK-UNK-2ede4078-63
0.378
DAR-DIA-bd041b9b-17
0.376
DAR-DIA-bd041b9b-9
0.359
DAR-DIA-bd041b9b-8
0.354
UNK-UNK-2ede4078-1
0.352
UNK-UNK-2ede4078-88
0.339
DAR-DIA-bd041b9b-15
0.336
DAR-DIA-bd041b9b-18
0.333
DAR-DIA-bd041b9b-28
0.325
DAR-DIA-bd041b9b-12
0.320
UNK-UNK-2ede4078-92
0.315
UNK-UNK-2ede4078-31
0.311
DAR-DIA-bd041b9b-14
0.310
UNK-UNK-2ede4078-10
0.298
MAT-POS-bb423b95-6
0.298
JOH-UNI-6fede743-3
0.298
JIN-POS-6dc588a4-19
0.298
DAR-DIA-bd041b9b-13
0.295
DAR-DIA-bd041b9b-21
0.286
NAU-LAT-a5c7d7cb-10
0.286
EDJ-MED-c8e7a002-11
0.286
MAT-POS-4211dce8-1
0.283
JAN-GHE-5a013bed-1
0.283
UNK-UNK-2ede4078-33
0.282
EDJ-MED-c8e7a002-6
0.282
EDJ-MED-49816e9b-3
0.277
VLA-UNK-0ffe3317-6
0.275
UNK-UNK-2ede4078-62
0.274
JAN-GHE-5a013bed-5
0.274
JOH-UNI-61f30276-1
0.274
DAR-DIA-bd041b9b-19
0.269
ROB-UNI-daaf9793-1
0.269
MAT-POS-e1b5ac6b-1
0.269
NAU-LAT-a5c7d7cb-11
0.269
EDG-MED-0da5ad92-13
0.267
JAN-GHE-5a013bed-4
0.267
ERI-UCB-a0b0dbcb-12
0.267
VLA-UNK-4cf5aa07-2
0.267
UNK-UNK-2ede4078-21
0.267
ALP-POS-91609ae9-1
0.267
JAN-GHE-5a013bed-3
0.266
EDJ-MED-49816e9b-5
0.265
MIC-UNK-d935700b-1
0.264
EDJ-MED-c8e7a002-5
0.263
PET-UNK-e44ffd04-1
0.262
NAU-LAT-a5c7d7cb-12
0.262
BEN-DND-02317c5c-8
0.262
DAR-DIA-bd041b9b-29
0.261
ALP-POS-8b8a49e1-8
0.260
MIC-UNK-4c7b8ba7-1
0.260
ALP-POS-76eab5ce-2
0.259
VLA-UNK-dc1d9354-1
0.259
MAT-POS-0c8fa4a7-2
0.259
MIC-UNK-fbef42b7-2
0.258
VLA-UNK-4cf5aa07-1
0.257
PET-UNK-158bee2a-1
0.257
BEN-DND-1e24cf73-3
0.257
EDJ-MED-50fe53e8-4
0.257
BEN-DND-02317c5c-9
0.257
MED-COV-4280ac29-15
0.255
AAR-POS-d2a4d1df-35
0.255
HYO-UNK-49a60884-1
0.255
JOH-UNI-0e1753c1-3
0.255
VLA-UNK-411a133b-1
0.255
JAG-UCB-a3ef7265-15
0.255
EDG-MED-0da5ad92-21
0.255
RUB-POS-1325a9ea-5
0.255
JIN-POS-6dc588a4-24
0.255
MIC-UNK-d935700b-2
0.255
JIN-POS-6dc588a4-21
0.255
MIC-UNK-13557a72-1
0.252
EDG-MED-0da5ad92-12
0.252
JIN-POS-6dc588a4-5
0.252
MAT-POS-0c8fa4a7-3
0.252
RUB-POS-1325a9ea-7
0.252
MAT-POS-f7918075-4
0.252
MIC-UNK-8971c93c-1
0.252
JIN-POS-6dc588a4-23
0.252
ALP-POS-cd485364-1
0.252
MAT-POS-bb423b95-7
0.252
PET-UNK-12d8d43f-2
0.250
JIN-POS-6dc588a4-8
0.250
JOH-UNI-23d9e1b1-1
0.250
EDJ-MED-b24713dc-4
0.250
MAT-POS-0bc33984-2
0.250