Molecular Properties | |
SMILES: | CC1CCC(C(=O)O)CN1S(=O)(=O)c1c[nH]c2nccc(Cl)c12 |
MW: | 357.06 |
Fraction sp3: | 0.43 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 103.36 |
cLogP: | 2.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2376799433 |
Mcule: | MCULE-3494837809 |
MolPort: | MolPort-042-531-286 |
Activated haloaromatics
4-halopyridine
Hetero_hetero
MAR-TRE-3159af1a-54
0.636
MAR-TRE-3159af1a-50
0.605
MAR-TRE-3159af1a-80
0.605
MAR-TRE-3159af1a-11
0.603
MAR-TRE-3159af1a-92
0.593
MAR-TRE-3159af1a-7
0.566
MAR-TRE-3159af1a-51
0.519
MAR-TRE-3159af1a-79
0.506
MAR-TRE-3159af1a-87
0.500
MAR-TRE-3159af1a-39
0.494
MAR-TRE-3159af1a-60
0.481
MAR-TRE-3159af1a-62
0.472
MAR-TRE-3159af1a-48
0.471
MAR-TRE-3159af1a-63
0.451
MAR-TRE-3159af1a-26
0.446
MAR-TRE-3159af1a-29
0.446
MAR-TRE-3159af1a-10
0.443
MAR-TRE-3159af1a-23
0.412
MAR-TRE-3159af1a-77
0.393
MAR-TRE-3159af1a-74
0.352
WIL-UNI-1faa9b10-53
0.347
MAR-TRE-3159af1a-32
0.280
MAR-TRE-3159af1a-67
0.277
MAR-TRE-3159af1a-93
0.276
SAD-SAT-f25ee457-6
0.274
MAR-TRE-3159af1a-36
0.273
MAR-TRE-3159af1a-61
0.272
MAR-TRE-3159af1a-35
0.267
MAR-TRE-3159af1a-89
0.265
MAR-TRE-3159af1a-42
0.262
MAR-TRE-3159af1a-86
0.260
MAR-TRE-3159af1a-81
0.259
MAR-TRE-3159af1a-78
0.257
MAR-TRE-3159af1a-56
0.257
MAR-TRE-3159af1a-19
0.250
MAR-TRE-3159af1a-43
0.248
MAR-TRE-3159af1a-65
0.245
DAR-DIA-03336633-14
0.243
MAR-TRE-3159af1a-31
0.243
MAR-TRE-3159af1a-45
0.241
MAR-TRE-3159af1a-37
0.238
MAR-TRE-fd17a9b8-42
0.234
RED-RED-10c9212c-21
0.231
DAR-DIA-03336633-12
0.230
DAR-DIA-03336633-13
0.229
MAR-TRE-67513f76-65
0.229
PET-UNK-158bee2a-16
0.229
NIC-BIO-ec630548-2
0.226
YOI-UNK-a533afbc-4
0.226
YOI-UNK-12211982-4
0.226
MAR-TRE-3159af1a-40
0.226
MAR-TRE-fd17a9b8-100
0.224
MAK-UNK-3f402c2b-12
0.224
MAR-TRE-c317dd82-78
0.224
NIC-BIO-29f4a211-1
0.223
NIC-BIO-174c9b04-2
0.222
NIC-BIO-174c9b04-3
0.221
MAR-TRE-2fd8122f-19
0.217
MAR-TRE-2fd8122f-29
0.217
MAR-TRE-3159af1a-91
0.216
COM-UCB-1ef4e90e-19
0.216
MAR-TRE-3159af1a-20
0.216
LEO-EVO-0d2ed6fc-5
0.216
PET-UNK-158bee2a-15
0.215
MAR-TRE-3159af1a-90
0.215
MAR-TRE-d0525fbf-14
0.213
KEI-TRE-d5e2018a-79
0.213
MAR-TRE-d0525fbf-54
0.212
BEN-DND-f06bfa8e-8
0.212
ADA-UCB-6c2cb422-2
0.212
MAR-TRE-9c797165-80
0.211
MAK-UNK-3f402c2b-17
0.210
MAK-UNK-8fdbca50-21
0.209
PET-UNK-158bee2a-14
0.208
NJA-MAN-b8640440-27
0.208
MAR-TRE-04c86cea-17
0.208
SWA-SYN-6423ea73-4
0.207
SWA-SYN-d2e6fa14-4
0.207
MAR-TRE-3159af1a-99
0.207
PET-UNK-f4e47ebd-10
0.207
MAR-TRE-fd17a9b8-15
0.207
EDJ-MED-487c5e9f-5
0.206
MAT-POS-4223bc15-30
0.206
NIC-BIO-25446079-4
0.206
PET-UNK-158bee2a-8
0.206
NIC-BIO-ec630548-1
0.206
ZAC-WAB-2baeb60f-1
0.205
ZAC-WAB-d55a3c2e-1
0.205
ALP-POS-e6e0c683-3
0.205
MAR-TRE-3159af1a-16
0.205
WAR-XCH-b72a1bbc-20
0.204
MAR-TRE-87acfbcc-28
0.204
NIC-BIO-25446079-3
0.204
JUL-TUD-06b2044f-155
0.204
JUL-TUD-06b2044f-157
0.204
MAR-TRE-4b834d9a-63
0.204
TAM-UNI-c140e31a-17
0.203
MAT-POS-590ac91e-20
0.202
WAR-XCH-b72a1bbc-19
0.202
LON-WEI-120e5cf5-13
0.202