Molecular Properties | |
SMILES: | COc1cccc2[nH]c(=O)cc(C(=O)NC3CCOc4cc(Cl)c(Cl)cc43)c12 |
MW: | 418.05 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 80.42 |
cLogP: | 4.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-bea7b391-2
0.725
VLA-UNK-eaa804fd-3
0.451
DAR-DIA-1a77c53a-2
0.430
EDJ-MED-bbe8e3da-2
0.430
EDJ-MED-6af13d92-3
0.426
MAT-POS-3b536971-1
0.419
EDJ-MED-edeb0d3a-2
0.419
ALP-POS-bea7b391-1
0.411
MAT-POS-3b536971-2
0.400
JUL-TUD-06b2044f-31
0.394
EDJ-MED-d1cd9639-2
0.393
DAR-DIA-1a77c53a-14
0.391
EDJ-MED-bbe8e3da-4
0.391
JUL-TUD-06b2044f-140
0.390
DAR-DIA-1a77c53a-9
0.389
EDJ-MED-bbe8e3da-3
0.389
DAR-DIA-1a77c53a-1
0.389
DAR-DIA-1a77c53a-17
0.385
DAR-DIA-1a77c53a-12
0.383
DAR-DIA-1a77c53a-13
0.383
DAR-DIA-1a77c53a-19
0.381
EDJ-MED-edeb0d3a-3
0.376
ALP-POS-fc6c627f-1
0.376
DAR-DIA-1a77c53a-8
0.374
DAR-DIA-1a77c53a-21
0.371
EDJ-MED-bbe8e3da-1
0.371
DAR-DIA-1a77c53a-18
0.371
DAR-DIA-1a77c53a-20
0.371
DAR-DIA-1a77c53a-24
0.370
DAR-DIA-1a77c53a-5
0.369
DAR-DIA-1a77c53a-6
0.369
DAR-DIA-1a77c53a-7
0.368
DAR-DIA-1a77c53a-23
0.364
DAR-DIA-1a77c53a-4
0.358
DAR-DIA-1a77c53a-3
0.358
DAR-DIA-1a77c53a-10
0.355
DAR-DIA-1a77c53a-11
0.355
DAR-DIA-1a77c53a-22
0.352
DAR-DIA-1a77c53a-15
0.349
DAR-DIA-1a77c53a-16
0.341
EDJ-MED-6af13d92-2
0.336
EDJ-MED-6af13d92-1
0.324
JUL-TUD-06b2044f-32
0.317
ALF-EVA-a24cc7ce-6
0.316
ALP-POS-64a6e87e-1
0.308
MAT-UCB-70f7c0f7-4
0.295
ALP-POS-fc6c627f-2
0.290
ALP-POS-869ac754-1
0.289
RYA-UNI-6d7114fd-1
0.289
RAL-THA-05e671eb-2
0.289
MAK-UNK-919546f0-6
0.287
DAR-DIA-9e4459de-19
0.287
DAR-DIA-9e4459de-18
0.286
JUL-TUD-06b2044f-63
0.283
ADA-UCB-b1b30a00-2
0.282
MAT-UCB-70f7c0f7-3
0.282
MAR-TRE-be9ff7d2-62
0.282
MAT-POS-590ac91e-35
0.279
MAT-POS-590ac91e-36
0.279
DAR-DIA-9e4459de-21
0.277
DAR-DIA-9e4459de-20
0.277
JAG-UCB-c61058a9-46
0.276
BEN-DND-02317c5c-2
0.276
ROB-UNI-6ee2df8c-1
0.276
DAR-DIA-9e4459de-24
0.275
DAR-DIA-9e4459de-17
0.274
DAR-DIA-9e4459de-23
0.271
BEN-DND-a7517465-6
0.270
JUL-TUD-06b2044f-27
0.270
DAR-DIA-9e4459de-22
0.269
JUL-TUD-06b2044f-10
0.268
EDG-MED-fe7487f8-15
0.268
ALP-POS-19e898d3-1
0.268
IND-SYN-6c8299e8-6
0.267
VLA-UNK-56836b69-4
0.267
MAT-POS-590ac91e-42
0.265
DAR-DIA-8e329c92-4
0.265
NAU-LAT-64bf4c5d-5
0.265
ALP-POS-3fc1724e-1
0.263
JUL-TUD-06b2044f-25
0.261
VLA-UCB-05e51b3f-18
0.261
VLA-UCB-50c39ae8-11
0.261
BEN-DND-b89db3f2-1
0.261
JAG-UCB-c61058a9-45
0.261
FRA-DIA-e29753f2-1
0.261
NAU-LAT-b7d8c353-3
0.261
JUL-TUD-06b2044f-66
0.259
ALP-POS-fc6c627f-3
0.258
DAR-DIA-8e329c92-8
0.258
NAU-LAT-28398581-3
0.256
MAT-POS-590ac91e-54
0.256
MAT-POS-162a9720-6
0.255
MAT-POS-916a2c5a-2
0.254
ERI-UCB-a0b0dbcb-9
0.254
MAT-POS-590ac91e-43
0.254
ERI-UCB-a0b0dbcb-8
0.254
NAU-LAT-64bf4c5d-3
0.252
NAU-LAT-56d5284e-7
0.252
ALP-POS-05819dc4-1
0.252
ALP-POS-19e898d3-2
0.252