Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc(CN3CCN(S(=O)(=O)c4cccc5cc(Cc6ccc(Cl)s6)c(Cc6ccsc6)cc45)CC3)s2)CC1 |
MW: | 823.937 |
Fraction sp3: | 0.34 |
HBA: | 9 |
HBD: | 0 |
Rotatable Bonds: | 11 |
TPSA: | 98.31 |
cLogP: | 6.43750000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-0daf6b7e-15
MAK-UNK-e05327b2-2
0.829
MAK-UNK-e05327b2-7
0.698
MAK-UNK-e05327b2-1
0.696
MAK-UNK-e05327b2-5
0.657
MAK-UNK-e05327b2-6
0.616
MAK-UNK-e05327b2-8
0.418
AAR-POS-0daf6b7e-15
0.367
DRR-IMP-db50bf6e-4
0.365
MAK-UNK-e4a48a85-21
0.361
MAK-UNK-e4a48a85-22
0.360
AAR-POS-0daf6b7e-2
0.358
MAK-UNK-e4a48a85-20
0.341
SAD-SAT-f2e2579e-3
0.333
MAK-UNK-e4a48a85-8
0.326
AAR-POS-0daf6b7e-13
0.324
LON-WEI-8f408cad-7
0.324
MAK-UNK-212f693e-8
0.324
NIM-UNI-05f93fcc-2
0.322
NIM-UNI-05f93fcc-9
0.320
NIM-UNI-05f93fcc-14
0.320
MED-COV-4280ac29-5
0.318
NIM-UNI-05f93fcc-3
0.317
NIM-UNI-05f93fcc-13
0.317
MAK-UNK-7c9d1431-12
0.316
NIM-UNI-05f93fcc-1
0.316
DRR-IMP-dff87f5e-4
0.312
NIM-UNI-310206f0-70
0.310
NIM-UNI-05f93fcc-15
0.310
NIM-UNI-310206f0-69
0.309
NIM-UNI-05f93fcc-16
0.308
MAT-POS-ee51dedd-2
0.307
NIM-UNI-05f93fcc-5
0.304
NIM-UNI-05f93fcc-7
0.304
NIM-UNI-05f93fcc-12
0.304
NIM-UNI-05f93fcc-11
0.303
NIM-UNI-05f93fcc-4
0.303
NIM-UNI-05f93fcc-17
0.302
MAK-UNK-e4a48a85-25
0.301
SAD-SAT-f2e2579e-1
0.300
NIM-UNI-05f93fcc-6
0.299
MAR-TRE-6a44bbf2-52
0.296
AAR-POS-d2a4d1df-22
0.296
LON-WEI-8f408cad-3
0.296
NIM-UNI-310206f0-68
0.295
RHE-UNK-eb059eb9-1
0.294
AAR-POS-0daf6b7e-3
0.294
MAR-TRE-6a44bbf2-13
0.294
WAR-XCH-79d12f6e-6
0.294
AAR-POS-d2a4d1df-36
0.294
MED-COV-4280ac29-25
0.294
NIM-UNI-310206f0-67
0.294
SAD-SAT-9a6c5cf3-4
0.293
NIM-UNI-05f93fcc-8
0.292
NIM-UNI-310206f0-71
0.291
NIM-UNI-05f93fcc-10
0.289
AAR-POS-d2a4d1df-34
0.288
DRR-IMP-dff87f5e-5
0.288
MAR-TRE-6a44bbf2-8
0.288
DRR-IMP-dff87f5e-8
0.286
DAR-DIA-fb20be43-9
0.285
MAK-UNK-7c9d1431-3
0.285
DRR-IMP-dff87f5e-2
0.285
AAR-POS-0daf6b7e-12
0.284
JOH-UNI-27ac80fd-23
0.284
MAK-UNK-69bf97dd-3
0.284
MED-COV-4280ac29-8
0.283
MAK-UNK-c74072e5-6
0.282
SEA-TRI-67e8f1c7-1
0.282
KAT-UNK-b2a0d5b1-1
0.281
SAD-SAT-bc31ec01-10
0.280
PEI-IMP-ca0b2813-4
0.279
MAK-UNK-7c9d1431-11
0.279
AAR-POS-d2a4d1df-37
0.279
MAR-TRE-6a44bbf2-65
0.279
TAT-ENA-80bfd3e5-43
0.279
MAR-TRE-6a44bbf2-7
0.279
PEI-IMP-668afc53-1
0.277
BEN-DND-76ad4ac9-13
0.276
BEN-DND-03406596-5
0.276
PEI-IMP-ca0b2813-3
0.274
SAD-SAT-f2e2579e-9
0.274
MAK-UNK-e4a48a85-23
0.274
MAK-UNK-d4768348-1
0.274
MAK-UNK-c74072e5-1
0.273
MAK-UNK-c74072e5-7
0.272
SAD-SAT-3a925b8b-6
0.271
LON-WEI-8f408cad-2
0.271
MAR-TRE-6a44bbf2-4
0.271
AAR-POS-d2a4d1df-32
0.271
MAK-UNK-a7992eb3-1
0.271
NAU-LAT-f723e322-5
0.271
MAK-UNK-e4a48a85-27
0.270
MIH-UNI-e573136b-4
0.269
BEN-DND-03406596-10
0.269
AAR-POS-d2a4d1df-23
0.269
MAR-TRE-6a44bbf2-18
0.269
LON-WEI-8f408cad-4
0.269
SAD-SAT-9a6c5cf3-7
0.269
AAR-POS-d2a4d1df-40
0.268
MED-COV-4280ac29-31
0.268