Molecular Properties | |
SMILES: | COc1cccc2[nH]c(=O)cc(C(=O)NC3CCOc4ccc(Cl)cc43)c12 |
MW: | 384.09 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 80.42 |
cLogP: | 3.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-bea7b391-3
0.725
ALP-POS-bea7b391-1
0.600
DAR-DIA-1a77c53a-2
0.495
ALP-POS-64a6e87e-1
0.484
ALF-EVA-a24cc7ce-6
0.480
MAK-UNK-919546f0-6
0.472
DAR-DIA-1a77c53a-14
0.464
MAT-POS-3b536971-1
0.456
EDJ-MED-edeb0d3a-2
0.456
DAR-DIA-1a77c53a-17
0.455
DAR-DIA-1a77c53a-19
0.451
DAR-DIA-1a77c53a-24
0.451
IND-SYN-6c8299e8-6
0.449
DAR-DIA-1a77c53a-8
0.445
DAR-DIA-1a77c53a-12
0.440
DAR-DIA-1a77c53a-13
0.440
MAT-POS-3b536971-2
0.437
DAR-DIA-1a77c53a-5
0.436
DAR-DIA-1a77c53a-6
0.436
EDG-MED-fe7487f8-15
0.430
EDJ-MED-d1cd9639-2
0.429
EDJ-MED-bbe8e3da-2
0.426
DAR-DIA-1a77c53a-21
0.425
DAR-DIA-1a77c53a-1
0.425
EDJ-MED-6af13d92-3
0.422
VLA-UNK-eaa804fd-3
0.419
DAR-DIA-1a77c53a-15
0.413
DAR-DIA-1a77c53a-9
0.411
NAU-LAT-28398581-3
0.410
ALP-POS-fc6c627f-1
0.409
NAU-LAT-64bf4c5d-3
0.408
NAU-LAT-64bf4c5d-5
0.406
DAR-DIA-1a77c53a-20
0.404
DAR-DIA-1a77c53a-18
0.404
DAR-DIA-1a77c53a-7
0.402
NAU-LAT-28398581-2
0.398
EDJ-MED-edeb0d3a-3
0.398
DAR-DIA-1a77c53a-23
0.397
DAR-DIA-1a77c53a-22
0.393
DAR-DIA-1a77c53a-3
0.390
DAR-DIA-1a77c53a-4
0.390
EDJ-MED-bbe8e3da-4
0.387
DAR-DIA-1a77c53a-10
0.387
DAR-DIA-1a77c53a-11
0.387
EDJ-MED-bbe8e3da-3
0.385
DAR-DIA-1a77c53a-16
0.382
BEN-DND-a7517465-6
0.381
JAG-UCB-c61058a9-46
0.374
EDJ-MED-bbe8e3da-1
0.368
JAG-UCB-c61058a9-45
0.360
VLA-UCB-50c39ae8-11
0.360
VLA-UCB-05e51b3f-18
0.360
NAU-LAT-b7d8c353-3
0.360
BEN-DND-b89db3f2-1
0.360
FRA-DIA-e29753f2-1
0.360
EDJ-MED-6af13d92-2
0.345
MIC-UNK-42806bd5-4
0.340
LON-WEI-0a73fcb8-2
0.339
JAG-UCB-52b62a6f-5
0.336
MIC-UNK-fc94cdb5-2
0.333
JOH-UNI-f51e3bbc-2
0.328
NAU-LAT-8502cac5-13
0.327
JAN-GHE-f4ca5a00-22
0.327
VLA-UNK-0ffe3317-2
0.327
NAU-LAT-64bf4c5d-1
0.327
ALP-POS-8b8a49e1-2
0.327
BEN-DND-b89db3f2-2
0.327
NAU-LAT-b7d8c353-4
0.327
MIC-UNK-4c7b8ba7-2
0.324
ALP-POS-8b8a49e1-4
0.324
JOH-UNI-f51e3bbc-4
0.322
EDJ-MED-6af13d92-1
0.321
MIC-UNK-42806bd5-3
0.321
ALP-POS-8b8a49e1-1
0.321
PET-UNK-b38839dc-5
0.319
EDJ-MED-ba7e64f2-3
0.319
JAG-UCB-52b62a6f-8
0.319
ALP-POS-8b8a49e1-3
0.317
EDJ-MED-97c1bf5c-3
0.317
VLA-UCB-53bdeed6-3
0.315
RUB-POS-1325a9ea-10
0.314
RAL-THA-3d7a794f-2
0.312
ALF-EVA-ced740bd-2
0.311
ROB-UNI-569bc02e-7
0.310
NAU-LAT-8502cac5-16
0.309
JAG-UCB-c61058a9-29
0.309
VLA-UCB-53bdeed6-2
0.309
ALP-POS-fc6c627f-2
0.309
JAG-UCB-52b62a6f-18
0.308
JAG-UCB-52b62a6f-12
0.308
JAG-UCB-c61058a9-22
0.306
MIC-UNK-b12b7f76-1
0.306
PET-UNK-b38839dc-4
0.306
JAG-UCB-52b62a6f-17
0.304
JAN-GHE-f4ca5a00-23
0.304
DAR-DIA-6a508060-7
0.304
JAG-UCB-c61058a9-44
0.304
JAN-GHE-f4ca5a00-21
0.304
NAU-LAT-8502cac5-12
0.304
EDJ-MED-97c1bf5c-5
0.303