Molecular Properties | |
SMILES: | COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1Cl |
MW: | 423.1 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 88.6 |
cLogP: | 2.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3309106421 |
MolPort: | MolPort-002-014-734 |
Activated haloaromatics
Hetero_hetero
MAR-TRE-fd17a9b8-44
0.430
MAR-TRE-fd17a9b8-2
0.429
KEI-TRE-d5e2018a-73
0.414
MAK-UNK-69bf97dd-1
0.414
MAR-TRE-fd17a9b8-62
0.411
MAR-TRE-d0525fbf-90
0.396
MAR-TRE-74c6519b-66
0.393
MAR-TRE-fd17a9b8-50
0.389
MAK-UNK-7c9d1431-19
0.378
MAK-UNK-69bf97dd-9
0.378
MAR-TRE-fd17a9b8-47
0.376
MAR-TRE-fd17a9b8-100
0.376
MAR-TRE-fd17a9b8-4
0.375
MAR-TRE-fd17a9b8-22
0.374
MAR-TRE-fd17a9b8-90
0.374
KEI-TRE-d5e2018a-53
0.365
MAR-TRE-2fd8122f-33
0.364
KEI-TRE-d5e2018a-38
0.356
MAK-UNK-009ebe36-7
0.356
PEI-IMP-ca0b2813-1
0.348
MAR-TRE-3e4e6814-54
0.340
BEN-DND-76ad4ac9-6
0.337
SER-UNI-985a0e14-2
0.337
MAK-UNK-69bf97dd-8
0.333
MAR-TRE-2fd8122f-55
0.333
KEI-TRE-d5e2018a-54
0.333
MAR-TRE-2fd8122f-19
0.330
MAR-TRE-2fd8122f-29
0.330
KEI-TRE-d5e2018a-50
0.327
MAK-UNK-69bf97dd-7
0.327
SAD-SAT-135344c3-2
0.327
ANT-DIA-045cfdc4-5
0.327
JAY-UNK-11f5bdbd-1
0.326
SAD-SAT-29425be4-9
0.324
MAR-TRE-d0525fbf-14
0.324
KEI-TRE-d5e2018a-79
0.324
SAD-SAT-29425be4-6
0.320
MAR-TRE-2fd8122f-11
0.318
MAR-TRE-2fd8122f-35
0.318
KEI-TRE-d5e2018a-59
0.318
MAK-UNK-69bf97dd-6
0.318
SAD-SAT-135344c3-5
0.317
LON-WEI-120e5cf5-11
0.316
MAK-UNK-8fdbca50-30
0.315
MAK-UNK-8fdbca50-16
0.313
PEI-IMP-ca0b2813-3
0.312
KEI-TRE-d5e2018a-9
0.311
MAK-UNK-8fdbca50-13
0.311
MAK-UNK-8fdbca50-27
0.310
MAK-UNK-8fdbca50-28
0.310
WIL-UNI-5578df48-17
0.310
MAK-UNK-7c9d1431-30
0.309
MAR-TRE-6a44bbf2-45
0.309
MAK-UNK-009ebe36-3
0.308
MAR-TRE-04c86cea-17
0.308
SAD-SAT-135344c3-4
0.308
MAR-TRE-7f7bb9f0-33
0.307
MAK-UNK-8fdbca50-12
0.306
JUL-TUD-06b2044f-78
0.306
MAK-UNK-8fdbca50-14
0.305
MAK-UNK-8fdbca50-33
0.305
MAK-UNK-8fdbca50-39
0.305
MAK-UNK-8fdbca50-41
0.305
SCO-CSI-e30c12ee-1
0.305
SIM-SYN-3099a863-3
0.305
MAR-TRE-6a44bbf2-26
0.304
MAK-UNK-7c9d1431-8
0.304
MAK-UNK-8fdbca50-17
0.302
MAK-UNK-8fdbca50-40
0.302
JAN-GHE-76def03c-1
0.302
MAK-UNK-7c9d1431-10
0.301
MAK-UNK-8fdbca50-2
0.300
KEI-TRE-d5e2018a-13
0.299
SAD-SAT-29425be4-29
0.299
MAK-UNK-8fdbca50-1
0.299
MAK-UNK-8fdbca50-11
0.299
MAK-UNK-8fdbca50-37
0.296
MAK-UNK-69bf97dd-3
0.296
MAK-UNK-8fdbca50-3
0.295
MAK-UNK-8fdbca50-26
0.295
MAK-UNK-8fdbca50-31
0.295
BAR-COM-4e090d3a-69
0.295
MAK-UNK-009ebe36-2
0.295
MAR-TRE-2fd8122f-13
0.294
MAK-UNK-69bf97dd-5
0.294
MAR-TRE-f6f5f473-23
0.292
DRA-CSI-3ab97369-1
0.292
SAD-SAT-29425be4-3
0.291
GIA-UNK-5ec6c2b8-4
0.291
MAK-UNK-7c9d1431-17
0.290
MAR-TRE-2fd8122f-74
0.289
MAK-UNK-de9577cf-4
0.289
MAK-UNK-8fdbca50-34
0.289
MAR-TRE-04c86cea-46
0.288
DAN-MCD-1c3944e2-1
0.288
CHA-MCP-85291e1d-7
0.287
BEN-DND-031a96cc-1
0.287
SAD-SAT-29425be4-27
0.287
MAR-TRE-3159af1a-1
0.287
MAK-UNK-8fdbca50-36
0.287