Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Cl)s2)C[C@@H]1Oc1ccc(F)cc1 |
MW: | 453.344 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 66.92 |
cLogP: | 3.0174 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
SAL-INS-1ea6d4ee-1
0.654
AAR-POS-0daf6b7e-15
0.455
SAD-SAT-f2e2579e-3
0.396
MAK-UNK-3f402c2b-24
0.395
NIM-UNI-05f93fcc-1
0.329
MAC-MCD-4707377b-1
0.326
AHN-SAT-b1e6fbb2-1
0.324
KAY-MCD-d0fe5261-1
0.318
DRR-IMP-dff87f5e-1
0.318
MAR-TRE-6a44bbf2-58
0.318
SAL-INS-1ea6d4ee-3
0.317
NIM-UNI-05f93fcc-5
0.312
BEN-DND-03406596-8
0.308
NIM-UNI-05f93fcc-15
0.306
AAR-POS-d2a4d1df-22
0.302
LON-WEI-8f408cad-3
0.302
MAR-TRE-6a44bbf2-52
0.302
NIM-UNI-310206f0-67
0.299
NIM-UNI-05f93fcc-17
0.296
NIM-UNI-310206f0-71
0.296
NIM-UNI-05f93fcc-2
0.295
MIK-MCD-8542a490-1
0.292
NIM-UNI-05f93fcc-14
0.292
BEN-DND-03406596-5
0.290
BEN-DND-76ad4ac9-13
0.290
NIM-UNI-05f93fcc-13
0.289
NIM-UNI-05f93fcc-3
0.289
NIM-UNI-310206f0-68
0.287
NIM-UNI-05f93fcc-7
0.286
MAK-UNK-3f402c2b-10
0.286
SAD-SAT-f2e2579e-9
0.286
NIM-UNI-05f93fcc-11
0.284
NIM-UNI-310206f0-70
0.282
NIM-UNI-05f93fcc-10
0.280
NIM-UNI-310206f0-69
0.278
NIM-UNI-05f93fcc-4
0.274
MAK-UNK-e05327b2-7
0.273
DAN-MCD-c163c0bb-1
0.271
MAK-UNK-e05327b2-8
0.271
DRR-IMP-db50bf6e-1
0.271
BEN-DND-76ad4ac9-1
0.270
AAR-POS-d2a4d1df-32
0.270
LON-WEI-8f408cad-2
0.270
MAR-TRE-6a44bbf2-4
0.270
MAK-UNK-d4768348-2
0.270
SAD-SAT-3a925b8b-6
0.270
MAK-UNK-7c9d1431-22
0.269
MAK-UNK-3f402c2b-16
0.269
KAT-UNK-b2a0d5b1-1
0.269
NIM-UNI-05f93fcc-6
0.267
NIM-UNI-05f93fcc-9
0.267
LON-WEI-8f408cad-4
0.267
MAR-TRE-6a44bbf2-18
0.267
BEN-DND-03406596-10
0.267
AAR-POS-d2a4d1df-23
0.267
BEN-DND-76ad4ac9-10
0.265
BEN-DND-03406596-6
0.265
PEI-IMP-668afc53-1
0.265
DRR-IMP-dff87f5e-4
0.264
SAD-SAT-f2e2579e-8
0.264
MAK-UNK-7c9d1431-17
0.264
MAK-UNK-c74072e5-8
0.264
MAK-UNK-3f402c2b-1
0.263
MAR-TRE-6a44bbf2-39
0.261
AAR-POS-d2a4d1df-33
0.261
MAK-UNK-7c9d1431-10
0.261
SAD-SAT-3a925b8b-7
0.261
BEN-DND-76ad4ac9-14
0.260
BEN-DND-03406596-3
0.260
PEI-IMP-ca0b2813-3
0.260
MAT-POS-ee51dedd-2
0.258
MAR-TRE-6a44bbf2-49
0.258
MAK-UNK-7c9d1431-5
0.258
MAK-UNK-7c9d1431-7
0.258
MAK-UNK-3f402c2b-11
0.258
MAR-TRE-6a44bbf2-31
0.258
NIM-UNI-05f93fcc-16
0.257
MAK-UNK-3f402c2b-2
0.255
MAK-UNK-69bf97dd-10
0.255
MAK-UNK-d4768348-7
0.253
MAK-UNK-3f402c2b-9
0.253
SEA-TRI-8252c13b-1
0.252
FOC-CAS-e3a94da8-1
0.252
DRR-IMP-dff87f5e-5
0.250
MAR-TRE-6a44bbf2-8
0.250
NIM-UNI-05f93fcc-8
0.250
MAR-TRE-6a44bbf2-21
0.250
AAR-POS-d2a4d1df-34
0.250
BEN-DND-76ad4ac9-12
0.250
BEN-DND-03406596-2
0.250
MAK-UNK-e05327b2-1
0.250
MAK-UNK-7c9d1431-9
0.250
FOC-CAS-e3a94da8-2
0.250
PEI-IMP-668afc53-2
0.250
IND-SYN-6c8299e8-2
0.247
BEN-DND-76ad4ac9-11
0.247
BEN-DND-03406596-9
0.247
ABB-MCD-f8003a30-1
0.247
MAR-TRE-6a44bbf2-32
0.247
DRR-IMP-dff87f5e-8
0.247