Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc(CN3CCN(S(=O)(=O)c4cccc5cc(CCc6ccc(Cl)s6)c(Cc6ccsc6)cc45)CC3)s2)CC1 |
MW: | 837.964 |
Fraction sp3: | 0.36 |
HBA: | 9 |
HBD: | 0 |
Rotatable Bonds: | 12 |
TPSA: | 98.31 |
cLogP: | 6.63190000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-0daf6b7e-15
MAK-UNK-e05327b2-3
0.829
MAK-UNK-e05327b2-1
0.815
MAK-UNK-e05327b2-7
0.717
MAK-UNK-e05327b2-5
0.674
MAK-UNK-e05327b2-6
0.621
MAK-UNK-e05327b2-8
0.383
AAR-POS-0daf6b7e-15
0.354
DRR-IMP-db50bf6e-4
0.353
MAK-UNK-e4a48a85-22
0.349
AAR-POS-0daf6b7e-2
0.345
MAK-UNK-e4a48a85-21
0.339
MAK-UNK-e4a48a85-20
0.331
SAD-SAT-f2e2579e-3
0.323
AAR-POS-0daf6b7e-13
0.313
LON-WEI-8f408cad-7
0.313
MAK-UNK-212f693e-8
0.313
NIM-UNI-05f93fcc-2
0.312
NIM-UNI-05f93fcc-9
0.310
NIM-UNI-05f93fcc-14
0.310
MED-COV-4280ac29-5
0.308
MAK-UNK-e4a48a85-8
0.308
NIM-UNI-05f93fcc-3
0.307
NIM-UNI-05f93fcc-13
0.307
MAK-UNK-7c9d1431-12
0.305
NIM-UNI-05f93fcc-1
0.305
MAK-UNK-e4a48a85-25
0.302
NIM-UNI-310206f0-70
0.301
SAD-SAT-f2e2579e-1
0.301
NIM-UNI-05f93fcc-6
0.300
NIM-UNI-05f93fcc-15
0.300
NIM-UNI-05f93fcc-16
0.299
NIM-UNI-310206f0-69
0.299
MAR-TRE-6a44bbf2-52
0.297
MAT-POS-ee51dedd-2
0.297
AAR-POS-d2a4d1df-22
0.297
LON-WEI-8f408cad-3
0.297
NIM-UNI-05f93fcc-12
0.295
NIM-UNI-05f93fcc-5
0.295
NIM-UNI-05f93fcc-7
0.295
NIM-UNI-310206f0-67
0.295
NIM-UNI-05f93fcc-4
0.294
NIM-UNI-05f93fcc-11
0.294
NIM-UNI-05f93fcc-17
0.292
DRR-IMP-dff87f5e-4
0.291
MAK-UNK-7c9d1431-3
0.286
NIM-UNI-310206f0-68
0.286
DRR-IMP-dff87f5e-2
0.286
SAD-SAT-9a6c5cf3-4
0.285
MAK-UNK-69bf97dd-3
0.285
NIM-UNI-05f93fcc-8
0.284
NIM-UNI-310206f0-71
0.282
SAD-SAT-bc31ec01-10
0.281
MAK-UNK-c74072e5-7
0.281
NIM-UNI-05f93fcc-10
0.280
PEI-IMP-ca0b2813-4
0.280
AAR-POS-d2a4d1df-34
0.279
DRR-IMP-dff87f5e-5
0.279
MAR-TRE-6a44bbf2-8
0.279
BEN-DND-76ad4ac9-13
0.278
BEN-DND-03406596-5
0.278
DAR-DIA-fb20be43-9
0.276
AAR-POS-0daf6b7e-12
0.275
JOH-UNI-27ac80fd-23
0.275
MED-COV-4280ac29-25
0.275
MED-COV-4280ac29-8
0.275
RHE-UNK-eb059eb9-1
0.274
AAR-POS-0daf6b7e-3
0.274
MAR-TRE-6a44bbf2-13
0.274
WAR-XCH-79d12f6e-6
0.274
MAK-UNK-c74072e5-6
0.274
MAK-UNK-a7992eb3-1
0.272
NAU-LAT-f723e322-5
0.272
KAT-UNK-b2a0d5b1-1
0.272
MAK-UNK-e4a48a85-27
0.271
MIH-UNI-e573136b-4
0.271
MAK-UNK-7c9d1431-11
0.270
AAR-POS-d2a4d1df-37
0.270
MAR-TRE-6a44bbf2-65
0.270
TAT-ENA-80bfd3e5-43
0.270
MAR-TRE-6a44bbf2-7
0.270
MAR-TRE-6a44bbf2-21
0.269
MAK-UNK-7c9d1431-9
0.269
PEI-IMP-668afc53-1
0.269
MAK-UNK-c74072e5-4
0.268
SAD-SAT-bc31ec01-1
0.267
SAD-SAT-f2e2579e-9
0.266
MAK-UNK-e4a48a85-23
0.266
DRR-IMP-dff87f5e-8
0.266
MAK-UNK-c74072e5-1
0.266
PEI-IMP-ca0b2813-3
0.266
SEA-TRI-67e8f1c7-1
0.265
DRR-IMP-db50bf6e-5
0.264
MAK-UNK-d4768348-1
0.264
AAR-POS-d2a4d1df-36
0.264
MAR-TRE-6a44bbf2-45
0.264
MAK-UNK-7c9d1431-30
0.264
LON-WEI-8f408cad-2
0.262
MAR-TRE-6a44bbf2-4
0.262
AAR-POS-d2a4d1df-32
0.262
BEN-DND-03406596-10
0.260