Molecular Properties | |
SMILES: | Cc1c(C(=O)CCl)cc(Cc2cccc(Cl)c2)n1N(C)C(=O)c1n[nH]c(=O)c2ccccc12 |
MW: | 482.09 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 88.06 |
cLogP: | 4.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
Filter64_halo_ketone_sulfone
Ketone
DAR-DIA-bd041b9b-16
0.638
DAR-DIA-bd041b9b-2
0.606
DAR-DIA-bd041b9b-17
0.589
DAR-DIA-bd041b9b-4
0.519
DAR-DIA-bd041b9b-32
0.509
DAR-DIA-bd041b9b-3
0.455
DAR-DIA-bd041b9b-27
0.445
TAT-ENA-80bfd3e5-37
0.422
MAT-POS-fa06b69f-9
0.422
DAR-DIA-bd041b9b-7
0.402
DAR-DIA-bd041b9b-6
0.397
UNK-UNK-2ede4078-28
0.371
DAR-DIA-bd041b9b-34
0.328
DAR-DIA-bd041b9b-9
0.326
DAR-DIA-bd041b9b-33
0.323
MAT-POS-bb423b95-6
0.320
JOH-UNI-6fede743-3
0.320
JIN-POS-6dc588a4-19
0.320
DAR-DIA-bd041b9b-23
0.318
DAR-DIA-bd041b9b-21
0.316
DAR-DIA-bd041b9b-8
0.311
UNK-UNK-2ede4078-31
0.308
UNK-UNK-2ede4078-63
0.308
DAR-DIA-bd041b9b-18
0.308
UNK-UNK-2ede4078-92
0.300
DAR-DIA-bd041b9b-28
0.299
EDJ-MED-c8e7a002-11
0.295
NAU-LAT-a5c7d7cb-10
0.295
DAR-DIA-bd041b9b-24
0.294
MAT-POS-4211dce8-1
0.292
MAR-TRE-4b834d9a-22
0.292
UNK-UNK-2ede4078-88
0.289
UNK-UNK-2ede4078-1
0.288
DAR-DIA-bd041b9b-20
0.288
ERI-UCB-a0b0dbcb-12
0.287
UNK-UNK-2ede4078-10
0.284
JOH-UNI-61f30276-1
0.283
JAN-GHE-82a280f8-2
0.277
MAR-TRE-f6f5f473-96
0.276
VLA-UNK-4cf5aa07-2
0.276
MIC-UNK-d935700b-1
0.274
DAR-DIA-bd041b9b-15
0.273
VLA-UNK-0ffe3317-6
0.273
ALP-POS-8b8a49e1-8
0.269
DAR-DIA-bd041b9b-12
0.269
ALP-POS-76eab5ce-2
0.269
UNK-UNK-2ede4078-33
0.268
NAU-LAT-a5c7d7cb-11
0.266
AAR-POS-d2a4d1df-35
0.265
MED-COV-4280ac29-15
0.265
HYO-UNK-49a60884-1
0.265
JOH-UNI-0e1753c1-3
0.265
MAR-TRE-d0525fbf-6
0.264
MIC-UNK-d935700b-2
0.264
TRY-UNI-1fd04853-5
0.264
SEA-TRI-146a67b6-1
0.263
MAR-TRE-4b834d9a-12
0.262
MAR-TRE-b77b7921-8
0.262
MAT-POS-bb423b95-7
0.261
RUB-POS-1325a9ea-7
0.261
JOH-UNI-23d9e1b1-1
0.260
JAN-GHE-5a013bed-5
0.258
DAR-DIA-bd041b9b-14
0.258
VLA-UCB-1dbca3b4-2
0.257
EDJ-MED-c8e7a002-6
0.257
JOH-UNI-ee5ed7c8-9
0.256
JOH-UNI-3fc3434e-9
0.256
DAR-DIA-bd041b9b-19
0.256
MAR-TRE-4b834d9a-10
0.256
ALP-POS-90e38439-3
0.255
ALP-POS-8b8a49e1-5
0.255
MIC-UNK-42806bd5-2
0.255
MAT-POS-e1b5ac6b-1
0.255
ROB-UNI-daaf9793-1
0.255
SAD-SAT-7d5528d9-35
0.254
DAR-DIA-bd041b9b-13
0.254
JOH-UNI-0e1753c1-2
0.253
EDG-MED-0da5ad92-21
0.252
EDJ-MED-c8e7a002-16
0.252
PET-UNK-bbe8d7ff-2
0.252
JIN-POS-6dc588a4-24
0.252
ALP-POS-95b75b4d-11
0.252
JAN-GHE-5a013bed-3
0.252
ALP-POS-75715966-3
0.252
JOH-UNI-0e1753c1-1
0.250
MAT-POS-0c8fa4a7-3
0.250
JIN-POS-6dc588a4-5
0.250
NIC-BIO-3276ca7f-6
0.250
JIN-POS-6dc588a4-23
0.250
EDJ-MED-49816e9b-5
0.250
UNK-UNK-2ede4078-62
0.250
MAR-TRE-f6f5f473-93
0.248
DAR-DIA-bd041b9b-29
0.248
KRI-MAR-d2e3ef86-9
0.248
MAT-POS-f7918075-7
0.248
RUB-POS-1325a9ea-1
0.248
JIN-POS-6dc588a4-8
0.248
MAT-POS-0bc33984-2
0.248
MAK-UNK-6ca90168-13
0.248
BAR-COM-ebf5acce-11
0.246