Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1CC(=O)Nc1cc(=O)[nH]c2ccccc12 |
MW: | 342.08 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 71.19 |
cLogP: | 3.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-3b92565d-4
1.000
MAT-POS-3b92565d-5
0.610
ROB-UNI-daaf9793-1
0.590
MAT-POS-e1b5ac6b-1
0.590
NAU-LAT-30527ac5-3
0.552
MAT-POS-3b92565d-7
0.542
MAR-UCB-f313ec4d-1
0.541
MAT-POS-3b92565d-1
0.529
MAT-POS-bbbbc21a-1
0.529
RAL-THA-2d450e86-29
0.529
NAU-LAT-a5c7d7cb-9
0.511
NAU-LAT-30527ac5-6
0.510
MAT-POS-3b92565d-6
0.500
ADA-UCB-6c2cb422-10
0.500
ADA-UCB-6c2cb422-11
0.485
ADA-UCB-6c2cb422-8
0.465
ALP-POS-05819dc4-1
0.412
FRA-DIA-0fa076fe-3
0.409
VLA-UCB-50c39ae8-11
0.408
VLA-UCB-05e51b3f-18
0.408
FRA-DIA-e29753f2-1
0.408
JAG-UCB-c61058a9-45
0.408
NAU-LAT-b7d8c353-3
0.408
BEN-DND-b89db3f2-1
0.408
FRA-DIA-0fa076fe-4
0.404
MAT-UCB-93f6aed8-1
0.398
JAG-UCB-c37fbdcd-1
0.390
MAT-UCB-93f6aed8-2
0.388
MAT-POS-3b92565d-10
0.387
JAG-UCB-c37fbdcd-2
0.382
EDJ-MED-edeb0d3a-1
0.380
BEN-DND-b89db3f2-5
0.380
ALP-POS-fc6c627f-3
0.358
EDJ-MED-d1cd9639-1
0.356
MAT-UCB-70f7c0f7-5
0.356
JIN-POS-6dc588a4-5
0.344
EDG-MED-0da5ad92-7
0.344
LON-WEI-1908424e-9
0.340
BEN-DND-d1eb1f41-4
0.340
MAT-POS-916a2c5a-2
0.337
MIC-UNK-e8d6fb58-3
0.336
MAR-UCB-f313ec4d-4
0.333
MIC-UNK-df9dcda8-4
0.333
ALP-POS-3fc1724e-4
0.330
ALP-POS-3fc1724e-1
0.330
DAR-DIA-8e329c92-10
0.330
RAL-THA-2d450e86-27
0.330
BEN-DND-d1eb1f41-6
0.323
BEN-DND-7e92b6ca-2
0.323
RAL-THA-2d450e86-39
0.323
MAR-TRE-92684b97-53
0.323
MAT-POS-590ac91e-42
0.320
NAU-LAT-a5c7d7cb-7
0.320
MAT-POS-3b536971-1
0.317
EDJ-MED-edeb0d3a-2
0.317
ALP-POS-df536be7-6
0.317
MIC-UNK-df9dcda8-1
0.317
MAT-UCB-70f7c0f7-4
0.317
PET-UNK-dd44aeb6-1
0.316
PET-UNK-dd44aeb6-2
0.316
RAL-THA-2d450e86-24
0.316
RAL-THA-2d450e86-25
0.316
MAT-POS-3b92565d-8
0.313
DAR-DIA-8e329c92-6
0.311
ALP-POS-6479a3a9-2
0.311
BEN-DND-7e92b6ca-13
0.310
ERI-UCB-a0b0dbcb-9
0.310
DAR-DIA-8e329c92-5
0.308
ALP-POS-d7944b10-16
0.308
DAR-DIA-8e329c92-4
0.308
ERI-UCB-a0b0dbcb-8
0.308
NAU-LAT-56d5284e-3
0.308
MIC-UNK-df9dcda8-2
0.308
MAT-POS-590ac91e-43
0.308
RAL-THA-2d450e86-22
0.306
ALP-POS-d7944b10-2
0.305
MIC-UNK-df9dcda8-3
0.303
EDJ-MED-edeb0d3a-3
0.302
DAR-DIA-1a77c53a-1
0.302
JAN-GHE-82a280f8-3
0.302
MAT-UCB-70f7c0f7-3
0.302
ADA-UCB-b1b30a00-2
0.302
NAU-LAT-56d5284e-8
0.301
WIL-UNI-d4749f31-4
0.301
ALP-POS-d7944b10-5
0.301
ALP-POS-ddb41b15-1
0.301
MIC-UNK-06e5f114-2
0.301
ALP-POS-ddb41b15-4
0.301
ERI-UCB-a0b0dbcb-2
0.300
PET-UNK-dd44aeb6-3
0.300
EDJ-MED-50011917-3
0.300
RAL-THA-2d450e86-28
0.300
JIN-POS-6dc588a4-23
0.299
DAR-DIA-8e329c92-7
0.297
JIN-POS-6dc588a4-18
0.296
BEN-DND-7e92b6ca-4
0.295
MAT-POS-4211dce8-1
0.295
ALP-POS-d7944b10-10
0.295
JAG-UCB-c61058a9-46
0.295
ERI-UCB-a0b0dbcb-5
0.294