Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc(CN3CCN(S(=O)(=O)c4cccc5cc(CN6CCN(S(=O)(=O)c7ccc(Cl)s7)CC6)c(CCc6ccsc6)cc45)CC3)s2)CC1 |
MW: | 986.151 |
Fraction sp3: | 0.42 |
HBA: | 12 |
HBD: | 0 |
Rotatable Bonds: | 14 |
TPSA: | 138.93 |
cLogP: | 5.54760000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
AAR-POS-0daf6b7e-15
MAK-UNK-e05327b2-5
0.868
MAK-UNK-e05327b2-6
0.802
MAK-UNK-e05327b2-2
0.717
MAK-UNK-e05327b2-3
0.698
MAK-UNK-e05327b2-1
0.636
AAR-POS-0daf6b7e-15
0.404
MAK-UNK-e05327b2-8
0.383
SAD-SAT-f2e2579e-3
0.366
DRR-IMP-db50bf6e-4
0.353
MAK-UNK-e4a48a85-21
0.328
AAR-POS-0daf6b7e-2
0.322
MAK-UNK-e4a48a85-22
0.318
MAK-UNK-7c9d1431-12
0.316
DAR-DIA-fb20be43-9
0.315
NIM-UNI-05f93fcc-2
0.312
MAK-UNK-e4a48a85-25
0.312
NIM-UNI-05f93fcc-15
0.310
MAK-UNK-e4a48a85-20
0.310
NIM-UNI-05f93fcc-14
0.310
NIM-UNI-05f93fcc-16
0.309
NIM-UNI-05f93fcc-3
0.307
NIM-UNI-05f93fcc-13
0.307
NIM-UNI-05f93fcc-1
0.305
NIM-UNI-05f93fcc-7
0.305
NIM-UNI-05f93fcc-5
0.305
NIM-UNI-05f93fcc-11
0.304
LON-WEI-8f408cad-7
0.302
MAK-UNK-212f693e-8
0.302
AAR-POS-0daf6b7e-13
0.302
AAR-POS-d2a4d1df-37
0.301
MAR-TRE-6a44bbf2-7
0.301
NIM-UNI-310206f0-70
0.301
DRR-IMP-dff87f5e-5
0.300
MAR-TRE-6a44bbf2-8
0.300
AAR-POS-d2a4d1df-34
0.300
NIM-UNI-310206f0-69
0.299
MED-COV-4280ac29-5
0.299
MAT-POS-ee51dedd-2
0.297
MIH-UNI-e573136b-5
0.296
NIM-UNI-05f93fcc-12
0.295
AHN-SAT-b1e6fbb2-1
0.294
NIM-UNI-05f93fcc-4
0.294
SAD-SAT-9a6c5cf3-4
0.294
NIM-UNI-310206f0-71
0.292
NIM-UNI-05f93fcc-17
0.292
MAK-UNK-c74072e5-6
0.292
SAD-SAT-f2e2579e-1
0.292
SEA-TRI-67e8f1c7-1
0.292
SAD-SAT-bc31ec01-10
0.291
DRR-IMP-dff87f5e-4
0.291
MAK-UNK-e4a48a85-8
0.291
TAT-ENA-80bfd3e5-43
0.290
MED-COV-4280ac29-31
0.290
MAK-UNK-7c9d1431-11
0.290
MAR-TRE-6a44bbf2-65
0.290
AAR-POS-d2a4d1df-40
0.290
NIM-UNI-05f93fcc-6
0.290
MIH-UNI-e573136b-4
0.290
NIM-UNI-05f93fcc-9
0.290
MAK-UNK-c74072e5-7
0.289
PAU-UNI-19862c28-1
0.289
DAR-DIA-fb20be43-8
0.289
PEI-IMP-668afc53-1
0.288
MAR-TRE-6a44bbf2-52
0.286
AAR-POS-d2a4d1df-22
0.286
LON-WEI-8f408cad-3
0.286
NIM-UNI-310206f0-68
0.286
NIM-UNI-310206f0-67
0.285
MAR-TRE-6a44bbf2-13
0.285
WAR-XCH-79d12f6e-6
0.285
AAR-POS-d2a4d1df-36
0.285
RHE-UNK-eb059eb9-1
0.285
AAR-POS-0daf6b7e-3
0.285
NIM-UNI-05f93fcc-8
0.284
MAR-TRE-6a44bbf2-45
0.283
MAK-UNK-7c9d1431-30
0.283
KAT-UNK-b2a0d5b1-1
0.282
HYO-UNK-50298ba0-1
0.281
SAL-INS-1ea6d4ee-3
0.281
PEI-IMP-ca0b2813-4
0.280
NIM-UNI-05f93fcc-10
0.280
BOG-INS-0b2b845a-1
0.278
SAD-SAT-bc31ec01-1
0.277
BOG-INS-bdba9cfb-1
0.276
DRR-IMP-dff87f5e-2
0.276
MAK-UNK-7c9d1431-3
0.276
JOH-UNI-27ac80fd-23
0.275
MAK-UNK-d4768348-1
0.275
AAR-POS-0daf6b7e-12
0.275
MED-COV-4280ac29-25
0.275
SAL-INS-1ea6d4ee-2
0.273
MAR-TRE-6a44bbf2-4
0.273
AAR-POS-d2a4d1df-32
0.273
MAK-UNK-d4768348-2
0.273
DAR-DIA-fb20be43-7
0.273
LON-WEI-8f408cad-2
0.273
NAU-LAT-f723e322-5
0.272
DAR-DIA-fb20be43-2
0.271
MAK-UNK-c74072e5-9
0.270
SAD-SAT-f2e2579e-4
0.270