Molecular Properties | |
SMILES: | O=C(O)C1CCCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 |
MW: | 343.04 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 103.36 |
cLogP: | 1.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1738936346 |
Mcule: | MCULE-6510436765 |
MolPort: | MolPort-041-806-311 |
Activated haloaromatics
4-halopyridine
Hetero_hetero
MAR-TRE-3159af1a-54
0.800
MAR-TRE-3159af1a-50
0.694
MAR-TRE-3159af1a-62
0.637
MAR-TRE-3159af1a-63
0.630
MAR-TRE-3159af1a-79
0.627
MAR-TRE-3159af1a-7
0.625
MAR-TRE-3159af1a-51
0.618
MAR-TRE-3159af1a-6
0.605
MAR-TRE-3159af1a-11
0.603
MAR-TRE-3159af1a-92
0.593
MAR-TRE-3159af1a-87
0.579
MAR-TRE-3159af1a-10
0.573
MAR-TRE-3159af1a-60
0.560
MAR-TRE-3159af1a-39
0.550
MAR-TRE-3159af1a-29
0.547
MAR-TRE-3159af1a-48
0.543
MAR-TRE-3159af1a-26
0.494
MAR-TRE-3159af1a-23
0.412
MAR-TRE-3159af1a-77
0.393
WIL-UNI-1faa9b10-53
0.347
MAR-TRE-3159af1a-74
0.337
MAR-TRE-04c86cea-17
0.333
MAR-TRE-3159af1a-67
0.330
MAR-TRE-04c86cea-46
0.326
MAR-TRE-2fd8122f-13
0.319
MAR-TRE-d0525fbf-54
0.317
MAR-TRE-f6f5f473-23
0.316
MAR-TRE-04c86cea-35
0.316
MAR-TRE-3159af1a-93
0.316
MAR-TRE-3159af1a-43
0.312
MAR-TRE-3159af1a-61
0.310
MAR-TRE-3159af1a-56
0.309
MAR-TRE-3159af1a-81
0.308
MAR-TRE-3159af1a-89
0.305
MAR-TRE-3159af1a-32
0.305
MAR-TRE-04c86cea-49
0.300
MAR-TRE-3159af1a-42
0.300
MAR-TRE-3159af1a-19
0.300
MAR-TRE-3159af1a-36
0.299
MAR-TRE-3159af1a-86
0.299
MAR-TRE-3159af1a-65
0.296
MAR-TRE-3159af1a-35
0.291
MAR-TRE-3159af1a-45
0.287
MAR-TRE-3159af1a-78
0.283
MAR-TRE-3159af1a-31
0.280
DAR-DIA-03336633-14
0.267
MAR-TRE-3159af1a-37
0.262
MAK-UNK-009ebe36-9
0.262
MAR-TRE-d0525fbf-14
0.260
KEI-TRE-d5e2018a-79
0.260
MAR-TRE-c8530538-59
0.259
MAR-TRE-2fd8122f-8
0.257
MAR-TRE-3159af1a-70
0.255
MAR-TRE-2fd8122f-19
0.252
DAR-DIA-03336633-12
0.252
SAD-SAT-f25ee457-6
0.252
NIC-BIO-ec630548-2
0.250
COM-UCB-1ef4e90e-19
0.250
MAK-UNK-69bf97dd-10
0.250
TAT-ENA-80bfd3e5-14
0.250
MAR-TRE-fd17a9b8-42
0.247
MAR-TRE-fd17a9b8-15
0.247
MAR-TRE-4b834d9a-88
0.245
MAK-UNK-69bf97dd-8
0.243
SAD-SAT-135344c3-3
0.243
RAF-POL-950dada1-23
0.242
MAR-TRE-67513f76-65
0.242
MAR-TRE-2fd8122f-29
0.240
MAR-TRE-4b834d9a-63
0.238
YOI-UNK-a533afbc-4
0.238
YOI-UNK-12211982-4
0.238
MAK-UNK-69bf97dd-7
0.238
MAR-TRE-3159af1a-90
0.238
MAR-TRE-fd17a9b8-100
0.237
MAR-TRE-3159af1a-16
0.237
MAR-TRE-c317dd82-78
0.236
MAR-TRE-4b834d9a-86
0.235
NIC-BIO-25446079-2
0.235
AHN-SAT-de2502ba-2
0.234
MAR-TRE-6a44bbf2-30
0.234
MAR-TRE-be9ff7d2-42
0.232
AHN-SAT-de2502ba-10
0.232
SWA-SYN-d2e6fa14-9
0.231
SWA-SYN-6423ea73-10
0.231
RED-RED-10c9212c-21
0.231
MAR-TRE-9c797165-62
0.230
NIC-BIO-25446079-4
0.230
SWA-SYN-6423ea73-4
0.229
SWA-SYN-d2e6fa14-4
0.229
DAR-DIA-03336633-13
0.229
NIC-BIO-ec630548-1
0.229
MAR-TRE-3159af1a-58
0.227
MAR-TRE-d0525fbf-90
0.227
SAD-SAT-9a6c5cf3-7
0.226
MAR-TRE-3e4e6814-54
0.226
MAR-TRE-3159af1a-40
0.226
AAR-POS-d2a4d1df-36
0.226
AHN-SAT-de2502ba-19
0.226
MAR-TRE-66ac689e-47
0.225
DAN-MCD-0fb4364c-1
0.225