Molecular Properties | |
SMILES: | O=C(O)CCCNS(=O)(=O)c1c[nH]c2nccc(Cl)c12 |
MW: | 317.02 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 112.15 |
cLogP: | 1.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1738001414 |
Mcule: | MCULE-1534846908 |
MolPort: | MolPort-041-805-421 |
Aliphatic long chain
Activated haloaromatics
Long aliphatic chain
4-halopyridine
Hetero_hetero
WIL-UNI-1faa9b10-53
0.553
MAR-TRE-3159af1a-77
0.481
MAR-TRE-3159af1a-50
0.455
MAR-TRE-3159af1a-60
0.446
MAR-TRE-3159af1a-11
0.438
MAR-TRE-3159af1a-54
0.432
MAR-TRE-3159af1a-92
0.417
MAR-TRE-3159af1a-51
0.412
MAR-TRE-3159af1a-7
0.412
MAR-TRE-3159af1a-80
0.412
MAR-TRE-3159af1a-6
0.412
MAR-TRE-3159af1a-87
0.410
MAR-TRE-3159af1a-48
0.402
MAR-TRE-3159af1a-79
0.400
MAR-TRE-3159af1a-39
0.390
MAR-TRE-3159af1a-26
0.382
MAR-TRE-3159af1a-63
0.371
MAR-TRE-3159af1a-29
0.367
MAR-TRE-3159af1a-62
0.360
MAR-TRE-3159af1a-10
0.327
MAR-TRE-3159af1a-35
0.295
MAR-TRE-3159af1a-67
0.280
MAR-TRE-3159af1a-19
0.277
MAR-TRE-3159af1a-42
0.277
MAR-TRE-3159af1a-36
0.261
MAR-TRE-3159af1a-43
0.261
MAR-TRE-ebcc4ad6-20
0.258
MAR-TRE-3159af1a-74
0.256
EDJ-MED-49816e9b-2
0.253
MAR-TRE-3159af1a-58
0.253
MAR-TRE-3159af1a-93
0.250
MAR-TRE-87acfbcc-58
0.244
DAR-DIA-03336633-14
0.242
MAR-TRE-3159af1a-91
0.241
MAR-TRE-423310b6-89
0.237
SAD-SAT-135344c3-6
0.237
MAR-TRE-423310b6-94
0.232
MAR-TRE-3159af1a-65
0.232
BAR-COM-0f94fc3d-22
0.232
GAB-FRA-261eb2a6-1
0.231
EDG-MED-0da5ad92-18
0.230
MAR-TRE-423310b6-60
0.229
MAR-TRE-3159af1a-45
0.229
DAR-DIA-03336633-13
0.228
MAR-TRE-423310b6-32
0.226
MAR-TRE-3159af1a-89
0.226
MAR-TRE-3159af1a-9
0.225
TRY-UNI-1fd04853-9
0.223
MAR-TRE-3159af1a-81
0.223
MAR-TRE-3159af1a-61
0.222
MAR-TRE-3159af1a-8
0.222
MAR-TRE-2fd8122f-11
0.221
MAR-TRE-3159af1a-32
0.221
MAR-TRE-3159af1a-78
0.219
ROB-UNI-b2e39629-9
0.219
WAR-XCH-6eb0722e-2
0.218
ZAC-WAB-86e8bacf-1
0.217
DAR-DIA-03336633-12
0.217
DAR-DIA-23aa0b97-12
0.215
DUN-NEW-f8ce3686-23
0.214
MAR-UCB-195bc32d-13
0.214
MAK-UNK-10572812-15
0.214
ZAC-WAB-d55a3c2e-1
0.214
ZAC-WAB-2baeb60f-1
0.214
MAR-TRE-a9136c7b-84
0.213
NIC-BIO-5044b423-1
0.213
TRY-UNI-1fd04853-5
0.213
TRY-UNI-1fd04853-11
0.213
NIC-BIO-2722da07-1
0.212
EMI-TUK-a58865cc-5
0.211
MAK-UNK-b1917cc8-5
0.211
MAR-TRE-2fd8122f-25
0.211
MAR-TRE-2fd8122f-76
0.211
KEI-TRE-d5e2018a-70
0.210
MAR-TRE-87acfbcc-62
0.210
ALP-POS-95b75b4d-8
0.209
SAM-UNK-2684b532-13
0.209
MAR-TRE-9d18ae8c-47
0.209
TRY-UNI-1fd04853-7
0.209
JAN-LUN-04aedcc0-1
0.209
MAR-TRE-3159af1a-86
0.208
MAR-TRE-9c797165-7
0.208
KEI-TRE-d5e2018a-56
0.208
SAD-SAT-f25ee457-6
0.207
EDG-MED-0da5ad92-14
0.207
MAK-UNK-10572812-3
0.207
WIL-UNI-1faa9b10-19
0.207
NIC-BIO-174c9b04-2
0.207
EDG-MED-21720aac-12
0.207
JOH-CHE-3504ac3d-2
0.206
MAT-GIT-deadff56-3
0.206
RIT-AID-a492ba81-1
0.206
DAR-DIA-842b4336-22
0.204
NIC-BIO-174c9b04-1
0.204
DAR-DIA-842b4336-17
0.204
MAR-TRE-3159af1a-31
0.204
KEI-TRE-d5e2018a-54
0.204
NAU-LAT-0543f7f2-4
0.204
SHR-UNK-cde60afe-1
0.204
MAR-TRE-1c920f6f-71
0.203