Molecular Properties | |
SMILES: | Cn1c(C(=O)CCl)nc(Cc2cccc(Cl)c2)c1NC(=O)c1n[nH]c(=O)c2ccccc12 |
MW: | 469.07 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 109.74 |
cLogP: | 3.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
keto_def_heterocycle
Filter64_halo_ketone_sulfone
Ketone
DAR-DIA-bd041b9b-27
0.728
DAR-DIA-bd041b9b-18
0.663
DAR-DIA-bd041b9b-4
0.610
DAR-DIA-bd041b9b-19
0.567
DAR-DIA-bd041b9b-9
0.557
DAR-DIA-bd041b9b-8
0.553
DAR-DIA-bd041b9b-2
0.529
DAR-DIA-bd041b9b-32
0.481
DAR-DIA-bd041b9b-28
0.462
DAR-DIA-bd041b9b-5
0.455
DAR-DIA-bd041b9b-24
0.454
UNK-UNK-2ede4078-28
0.426
DAR-DIA-bd041b9b-21
0.413
TAT-ENA-80bfd3e5-37
0.408
MAT-POS-fa06b69f-9
0.408
DAR-DIA-bd041b9b-29
0.385
UNK-UNK-2ede4078-63
0.374
DAR-DIA-bd041b9b-20
0.369
UNK-UNK-2ede4078-1
0.362
DAR-DIA-bd041b9b-10
0.346
DAR-DIA-bd041b9b-6
0.344
DAR-DIA-bd041b9b-23
0.343
DAR-DIA-bd041b9b-7
0.338
UNK-UNK-2ede4078-88
0.324
UNK-UNK-2ede4078-92
0.312
UNK-UNK-2ede4078-31
0.308
EDJ-MED-c8e7a002-11
0.308
NAU-LAT-a5c7d7cb-10
0.308
UNK-UNK-2ede4078-10
0.307
DAR-DIA-bd041b9b-33
0.304
NAU-LAT-a5c7d7cb-11
0.302
EDJ-MED-49816e9b-5
0.300
DAR-DIA-bd041b9b-34
0.299
DAR-DIA-bd041b9b-11
0.298
VLA-UNK-0ffe3317-6
0.296
JIN-POS-6dc588a4-19
0.295
MAT-POS-bb423b95-6
0.295
JOH-UNI-6fede743-3
0.295
VLA-UNK-411a133b-1
0.290
DAR-DIA-bd041b9b-16
0.283
MAT-POS-4211dce8-1
0.280
BEN-DND-1e24cf73-2
0.279
EDJ-MED-c8e7a002-6
0.279
JAG-UCB-a3ef7265-15
0.277
EDJ-MED-49816e9b-3
0.275
EDJ-MED-c8e7a002-2
0.273
JOH-UNI-61f30276-1
0.271
JIN-POS-6dc588a4-8
0.271
JAN-GHE-5a013bed-5
0.271
PET-UNK-12d8d43f-2
0.270
BEN-DND-1e24cf73-1
0.269
DAR-DIA-6a49afbe-1
0.269
EDJ-MED-c8e7a002-3
0.268
UNK-UNK-2ede4078-70
0.268
VLA-UCB-05e51b3f-17
0.268
UNK-UNK-2ede4078-33
0.268
EDJ-MED-ee07cf00-1
0.265
EDG-MED-0da5ad92-21
0.265
UNK-UNK-2ede4078-21
0.264
VLA-UNK-4cf5aa07-2
0.264
JAN-GHE-5a013bed-3
0.264
JIN-POS-6dc588a4-21
0.264
MIC-UNK-d935700b-1
0.262
EDJ-MED-b24713dc-1
0.261
MAT-POS-bb423b95-7
0.261
JOH-UNI-ee5ed7c8-11
0.261
JOH-UNI-3fc3434e-11
0.261
EDJ-MED-c8e7a002-5
0.261
UNK-UNK-2ede4078-62
0.261
MAT-POS-0bc33984-2
0.260
BEN-DND-02317c5c-8
0.259
ADA-UCB-6c2cb422-1
0.259
PET-UNK-e44ffd04-1
0.259
NAU-LAT-a5c7d7cb-12
0.259
KRI-MAR-d2e3ef86-9
0.259
EDJ-MED-6e43a462-12
0.259
RUB-POS-1325a9ea-1
0.259
MAT-POS-f7918075-7
0.259
BEN-DND-1e24cf73-4
0.259
DAR-DIA-bd041b9b-17
0.258
EDJ-MED-6e43a462-9
0.257
ALP-POS-76eab5ce-2
0.257
JIN-POS-6dc588a4-7
0.257
BEN-DND-1e24cf73-5
0.257
VLA-UCB-05e51b3f-15
0.257
PET-UNK-6c2be958-1
0.257
MIC-UNK-fbef42b7-2
0.256
VLA-UNK-411a133b-2
0.255
PET-UNK-158bee2a-1
0.255
VLA-UNK-4cf5aa07-1
0.255
JOH-UNI-6fede743-4
0.255
ROB-UNI-daaf9793-1
0.255
EDJ-MED-6e43a462-7
0.255
EDJ-MED-50fe53e8-1
0.255
MAT-POS-e1b5ac6b-1
0.255
MAT-POS-3cc264b0-1
0.255
EDJ-MED-6e43a462-2
0.254
JAG-UCB-a3ef7265-17
0.252
JAN-GHE-5a013bed-4
0.252
EDG-MED-0da5ad92-13
0.252