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: | 990.183 |
Fraction sp3: | 0.53 |
HBA: | 12 |
HBD: | 0 |
Rotatable Bonds: | 14 |
TPSA: | 138.93 |
cLogP: | 5.19160000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
alpha_halo_heteroatom
secondary_halide_sulfate
Hetero_hetero
Alkyl Halide
Dithiomethylene_acetal
AAR-POS-0daf6b7e-15
MAK-UNK-e05327b2-7
0.802
MAK-UNK-e05327b2-5
0.754
MAK-UNK-e05327b2-2
0.621
MAK-UNK-e05327b2-3
0.616
MAK-UNK-e05327b2-1
0.562
MAK-UNK-e05327b2-8
0.368
MAK-UNK-e4a48a85-21
0.336
DRR-IMP-db50bf6e-4
0.328
MAK-UNK-e4a48a85-22
0.317
MAK-UNK-e4a48a85-25
0.310
NIM-UNI-310206f0-70
0.309
MAK-UNK-e4a48a85-20
0.309
DAR-DIA-fb20be43-9
0.304
NIM-UNI-05f93fcc-16
0.299
SAD-SAT-9a6c5cf3-4
0.293
SAD-SAT-f2e2579e-1
0.291
NIM-UNI-05f93fcc-2
0.291
LON-WEI-8f408cad-7
0.290
MAK-UNK-e4a48a85-8
0.290
MAK-UNK-212f693e-8
0.290
AAR-POS-0daf6b7e-13
0.290
NIM-UNI-05f93fcc-15
0.290
MAK-UNK-c74072e5-7
0.289
NIM-UNI-05f93fcc-14
0.289
MED-COV-4280ac29-5
0.289
NIM-UNI-05f93fcc-13
0.287
AAR-POS-0daf6b7e-15
0.286
NIM-UNI-05f93fcc-12
0.286
MIH-UNI-e573136b-5
0.286
NIM-UNI-05f93fcc-4
0.285
NIM-UNI-05f93fcc-7
0.285
MED-COV-4280ac29-25
0.285
NIM-UNI-05f93fcc-5
0.285
NIM-UNI-05f93fcc-11
0.284
MAK-UNK-7c9d1431-12
0.283
NIM-UNI-05f93fcc-1
0.283
SAD-SAT-f2e2579e-3
0.283
NIM-UNI-05f93fcc-17
0.283
MIH-UNI-e573136b-4
0.281
MAK-UNK-7c9d1431-11
0.280
AAR-POS-d2a4d1df-37
0.280
MAR-TRE-6a44bbf2-7
0.280
MED-COV-4280ac29-31
0.280
TAT-ENA-80bfd3e5-43
0.280
MAR-TRE-6a44bbf2-65
0.280
AAR-POS-d2a4d1df-40
0.280
NIM-UNI-310206f0-69
0.279
MAR-TRE-6a44bbf2-8
0.279
DRR-IMP-dff87f5e-5
0.279
AAR-POS-d2a4d1df-34
0.279
NIM-UNI-05f93fcc-3
0.277
NIM-UNI-310206f0-68
0.277
MAT-POS-ee51dedd-2
0.276
NIM-UNI-05f93fcc-8
0.275
MAK-UNK-c74072e5-6
0.275
SEA-TRI-67e8f1c7-1
0.275
NIM-UNI-310206f0-71
0.273
SAD-SAT-bc31ec01-10
0.273
NIM-UNI-05f93fcc-6
0.271
NIM-UNI-05f93fcc-9
0.271
SAD-SAT-f2e2579e-4
0.271
PAU-UNI-19862c28-1
0.270
DAR-DIA-fb20be43-8
0.270
BOG-INS-0b2b845a-1
0.270
PEI-IMP-668afc53-1
0.270
SAD-SAT-9a6c5cf3-10
0.270
BOG-INS-bdba9cfb-1
0.268
AAR-POS-0daf6b7e-2
0.268
SAD-SAT-f2e2579e-9
0.267
MAK-UNK-e4a48a85-23
0.267
MAK-UNK-e4a48a85-24
0.267
MAK-UNK-69bf97dd-3
0.267
MAK-UNK-af83ef51-15
0.267
NIM-UNI-310206f0-67
0.266
MED-COV-4280ac29-8
0.266
MAR-TRE-6a44bbf2-52
0.266
AAR-POS-0daf6b7e-12
0.266
JOH-UNI-27ac80fd-23
0.266
LON-WEI-8f408cad-3
0.266
AAR-POS-d2a4d1df-22
0.266
AAR-POS-0daf6b7e-3
0.265
WAR-XCH-79d12f6e-6
0.265
AAR-POS-d2a4d1df-36
0.265
MAR-TRE-6a44bbf2-13
0.265
RHE-UNK-eb059eb9-1
0.265
MAR-TRE-6a44bbf2-45
0.265
MAK-UNK-7c9d1431-30
0.265
MAK-UNK-a7992eb3-1
0.265
DAR-DIA-fb20be43-7
0.264
SAD-SAT-f2e2579e-6
0.264
KAT-UNK-b2a0d5b1-1
0.263
HYO-UNK-50298ba0-1
0.263
DAR-DIA-fb20be43-2
0.263
NIM-UNI-05f93fcc-10
0.262
PEI-IMP-ca0b2813-4
0.262
SAD-SAT-9a6c5cf3-7
0.262
TAM-UNI-d1c3dd9f-5
0.261
MAK-UNK-c74072e5-2
0.260
DRR-IMP-dff87f5e-4
0.260
SEL-UNI-cd366922-6
0.259