Molecular Properties | |
SMILES: | O=C1C[C@]2(NC(=O)N(c3cncc4cnccc34)C2=O)c2cc(Cl)c(Cl)cc2N1 |
MW: | 427.02 |
Fraction sp3: | 0.11 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 1 |
TPSA: | 104.29 |
cLogP: | 3.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
VLA-UNK-56836b69-5
0.726
VLA-UNK-56836b69-2
0.394
VLA-UNK-70dd90ef-1
0.371
VLA-UNK-3a43cd95-2
0.361
VLA-UNK-3a43cd95-1
0.355
VLA-UNK-83c3754c-1
0.346
VLA-UNK-70dd90ef-4
0.346
VLA-MRT-a639d434-1
0.345
VLA-MRT-8c78ee15-3
0.345
MAT-POS-ddfe83c6-4
0.345
VLA-MRT-a639d434-2
0.342
VLA-MRT-8c78ee15-4
0.342
VLA-UCB-34f3ed0c-11
0.339
VLA-UCB-29506327-1
0.339
VLA-UNK-cf7facf1-1
0.339
JOH-MSK-ccc6e4c0-1
0.331
VLA-MRT-8c78ee15-1
0.327
VLA-MRT-8c78ee15-2
0.327
VLA-MRT-a639d434-3
0.327
MAT-POS-61f37a1a-14
0.315
VLA-UNK-70dd90ef-2
0.315
ALP-POS-e0fe77e5-11
0.312
JUL-TUD-06b2044f-109
0.311
JOH-MSK-4bb3d434-3
0.308
EDJ-MED-4f704dc9-2
0.304
MAT-POS-c2d406ed-1
0.302
MIK-ENA-f156d06e-1
0.302
ALP-POS-e0fe77e5-10
0.301
VLA-UNK-c65c1026-4
0.297
ALP-UNI-8d415491-3
0.296
VLA-UCB-34f3ed0c-12
0.291
YVE-CNR-7d92d73e-1
0.289
MAT-POS-1f3f1a6f-5
0.288
MAT-POS-11ebe265-1
0.288
JUL-TUD-06b2044f-45
0.288
VLA-UNK-c65c1026-6
0.287
VLA-UCB-1dbca3b4-18
0.284
PET-UNK-abc197b8-1
0.284
ALP-POS-e0fe77e5-12
0.282
VLA-UNK-c65c1026-3
0.276
VLA-UNK-c65c1026-5
0.276
VLA-UNK-70dd90ef-3
0.274
VLA-UNK-56836b69-3
0.274
ALP-POS-e0fe77e5-5
0.271
VLA-UNK-82501c2c-1
0.267
VLA-UNK-3a43cd95-4
0.265
PET-UNK-b78139fa-18
0.263
JOH-MSK-b735e33c-1
0.263
JUL-TUD-06b2044f-41
0.263
PET-UNK-eeb64427-5
0.262
PET-UNK-eeb64427-2
0.262
VLA-UNK-3a43cd95-3
0.261
BEN-DND-34fc7f90-7
0.259
VLA-UNK-56836b69-4
0.259
MIC-UNK-ea4eb352-7
0.259
EDJ-MED-4f704dc9-1
0.259
VLA-UCB-05e51b3f-6
0.258
VLA-UNK-ba665ac8-1
0.258
VLA-UCB-50c39ae8-3
0.258
PET-UNK-f4e47ebd-28
0.258
VLA-UCB-1dbca3b4-13
0.257
MAT-POS-ec6d90b7-2
0.256
MAT-POS-90505e2b-1
0.256
MAT-POS-ec6d90b7-1
0.256
EDJ-MED-7587a9ee-1
0.256
MAT-POS-2e8b2191-8
0.256
PET-UNK-143b31ee-2
0.256
PET-UNK-143b31ee-5
0.256
PET-UNK-689df078-3
0.255
MAT-POS-c74bc7b3-1
0.254
MIC-UNK-0a05c952-4
0.254
MAT-POS-c74bc7b3-2
0.254
VLA-UNK-c65c1026-2
0.254
PET-UNK-4c71d490-1
0.254
PET-UNK-4c71d490-5
0.254
ALP-POS-e0fe77e5-2
0.252
PET-UNK-4b4f2bb7-9
0.252
ALP-POS-e0fe77e5-4
0.252
VLA-UCB-1dbca3b4-10
0.250
JUL-TUD-06b2044f-51
0.250
MIC-UNK-0a05c952-3
0.250
EDJ-MED-9e38fd34-4
0.250
PET-UNK-eeb64427-3
0.250
DAR-DIA-b80f1cd7-13
0.250
JUL-TUD-06b2044f-46
0.250
PET-UNK-f4e47ebd-21
0.250
EDJ-MED-9e38fd34-5
0.250
PET-UNK-689df078-1
0.250
PET-UNK-eeb64427-6
0.250
EDJ-MED-9e38fd34-6
0.250
ALP-POS-e0fe77e5-14
0.248
DAR-DIA-b80f1cd7-14
0.248
VLA-UNK-83c3754c-2
0.248
BEN-DND-34fc7f90-1
0.248
EDJ-MED-2f867453-2
0.248
VLA-UCB-1dbca3b4-6
0.248
VLA-UCB-1dbca3b4-17
0.248
PET-UNK-4dc48bbe-6
0.248
MAT-POS-c2d406ed-3
0.246
DAR-DIA-b80f1cd7-12
0.246