Molecular Properties | |
SMILES: | O=C(OC(C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)c1n[nH]c(=O)c2ccccc12 |
MW: | 467.04 |
Fraction sp3: | 0.04 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 101.15 |
cLogP: | 4.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-26 |
Ester
UNK-UNK-2ede4078-31
0.437
UNK-UNK-2ede4078-63
0.374
UNK-UNK-2ede4078-28
0.357
UNK-UNK-2ede4078-1
0.347
DAR-DIA-bd041b9b-27
0.310
DAR-DIA-bd041b9b-3
0.307
UNK-UNK-2ede4078-92
0.307
TAT-ENA-80bfd3e5-37
0.301
MAT-POS-fa06b69f-9
0.301
DAR-DIA-bd041b9b-23
0.300
DAR-DIA-bd041b9b-24
0.300
DAR-DIA-bd041b9b-2
0.298
DAR-DIA-bd041b9b-32
0.296
DAR-DIA-bd041b9b-5
0.284
UNK-UNK-2ede4078-88
0.283
DAR-DIA-bd041b9b-4
0.282
WAR-XCH-eb7b662f-3
0.261
UNK-UNK-2ede4078-70
0.260
DAR-DIA-bd041b9b-8
0.258
DAR-DIA-bd041b9b-9
0.254
ADA-UNI-f8e79267-4
0.253
ALP-POS-ddb41b15-5
0.250
DAR-DIA-bd041b9b-6
0.250
UNK-UNK-2ede4078-83
0.250
DAR-DIA-bd041b9b-33
0.250
DAR-DIA-bd041b9b-7
0.246
DAR-DIA-bd041b9b-34
0.246
UNK-UNK-2ede4078-21
0.246
ADA-UNI-f8e79267-1
0.243
MIC-UNK-d36ab305-1
0.239
ERI-UCB-ce40166b-5
0.237
UNK-UNK-2ede4078-33
0.236
VLA-UNK-9a7dc93f-7
0.236
ERI-UCB-ce40166b-7
0.235
MAK-UNK-f481d203-4
0.235
MAK-UNK-919546f0-2
0.235
MAK-UNK-f481d203-3
0.235
MAR-TRE-3e4e6814-31
0.234
BEN-DND-03406596-4
0.233
BEN-DND-03406596-11
0.233
BEN-DND-03406596-12
0.233
BEN-DND-93268d01-1
0.233
ERI-UCB-ce40166b-6
0.231
VLA-UNK-9a7dc93f-6
0.229
SAM-UNK-2684b532-1
0.229
ALP-POS-a0a4abd7-1
0.226
LON-WEI-b2874fec-16
0.224
UNK-UNK-2ede4078-104
0.224
MAR-TRE-b77b7921-55
0.222
ALP-POS-a0a4abd7-2
0.221
JAG-UCB-52b62a6f-6
0.221
DAR-DIA-2964957d-3
0.221
ADA-UNI-f8e79267-2
0.221
JAG-UCB-cedd89ab-6
0.221
ADA-UNI-f8e79267-5
0.220
WAR-XCH-eb7b662f-5
0.219
EDJ-MED-ee07cf00-16
0.219
MAT-POS-de59a476-6
0.218
VLA-UNK-9a7dc93f-5
0.218
UNK-UNK-2ede4078-62
0.218
MAT-POS-b5746674-131
0.218
MAT-POS-fce787c2-2
0.218
DAR-DIA-667e571f-1
0.217
NAU-LAT-4ce8bf23-3
0.216
MAT-POS-de59a476-5
0.216
GIA-UNK-c4371e97-1
0.216
BEN-DND-362d364a-12
0.216
DRE-WAB-ae4a693c-1
0.216
PET-SGC-d0156db4-1
0.216
KEI-TRE-d5e2018a-81
0.216
PET-SGC-b0f8bd49-1
0.216
ERI-UCB-ce40166b-8
0.216
MIC-UNK-d36ab305-4
0.216
JAN-GHE-f4ca5a00-5
0.216
MAT-POS-ea426761-13
0.215
LON-WEI-4d77710c-72
0.215
LON-WEI-5e7d1b3e-72
0.215
MAT-POS-de59a476-2
0.215
MAT-POS-6344a35d-1
0.215
JAN-GHE-74b8b0cb-2
0.214
NAU-LAT-a5c7d7cb-10
0.214
JIN-POS-6dc588a4-19
0.214
EDJ-MED-c8e7a002-11
0.214
JOH-UNI-6fede743-3
0.214
MAT-POS-bb423b95-6
0.214
MAT-POS-1f3f1a6f-2
0.213
ADA-UNI-f8e79267-10
0.213
MAR-TRE-92684b97-32
0.213
EDJ-MED-c8e7a002-3
0.213
EDJ-MED-9e38fd34-2
0.212
EDJ-MED-9e38fd34-1
0.212
EDJ-MED-9e38fd34-3
0.212
GIA-UNK-4de5abb1-1
0.212
MIC-UNK-e8d6fb58-1
0.212
KEI-TRE-d5e2018a-16
0.211
MAR-TRE-f6f5f473-8
0.211
HAO-BIO-c9aafde3-4
0.211
MAT-POS-89e65850-3
0.211
ALP-POS-6d96567b-1
0.210
MAR-TRE-3159af1a-30
0.210