Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1C1CCN(C(=O)c2cc(=O)[nH]c3cccc(OC)c23)CC1 |
MW: | 426.13 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 71.63 |
cLogP: | 4.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-1a77c53a-24
0.667
DAR-DIA-1a77c53a-17
0.656
DAR-DIA-1a77c53a-19
0.649
DAR-DIA-1a77c53a-13
0.646
DAR-DIA-1a77c53a-12
0.646
DAR-DIA-1a77c53a-5
0.640
DAR-DIA-1a77c53a-6
0.640
DAR-DIA-1a77c53a-1
0.633
DAR-DIA-1a77c53a-15
0.606
DAR-DIA-1a77c53a-21
0.606
EDJ-MED-d1cd9639-2
0.587
DAR-DIA-1a77c53a-14
0.586
MAT-POS-3b536971-2
0.582
DAR-DIA-1a77c53a-8
0.582
DAR-DIA-1a77c53a-23
0.564
DAR-DIA-1a77c53a-20
0.545
DAR-DIA-1a77c53a-18
0.545
DAR-DIA-1a77c53a-9
0.525
DAR-DIA-1a77c53a-3
0.524
DAR-DIA-1a77c53a-4
0.524
DAR-DIA-1a77c53a-7
0.515
DAR-DIA-1a77c53a-22
0.509
DAR-DIA-1a77c53a-16
0.495
ALP-POS-bea7b391-2
0.495
DAR-DIA-1a77c53a-11
0.491
DAR-DIA-1a77c53a-10
0.491
MAT-POS-3b536971-1
0.446
EDJ-MED-edeb0d3a-2
0.446
EDJ-MED-edeb0d3a-3
0.441
ALP-POS-bea7b391-3
0.430
VLA-UNK-eaa804fd-3
0.381
EDJ-MED-bbe8e3da-2
0.376
EDJ-MED-6af13d92-3
0.369
NAU-LAT-56d5284e-2
0.369
ALP-POS-fc6c627f-1
0.362
EDJ-MED-bbe8e3da-3
0.361
EDJ-MED-d1cd9639-1
0.352
MAT-POS-590ac91e-54
0.351
NAU-LAT-56d5284e-3
0.343
EDJ-MED-bbe8e3da-4
0.339
EDJ-MED-6af13d92-2
0.333
EDJ-MED-bbe8e3da-1
0.322
BEN-DND-7e92b6ca-13
0.321
ERI-UCB-a0b0dbcb-6
0.315
ERI-UCB-a0b0dbcb-9
0.308
MAT-POS-590ac91e-70
0.306
ERI-UCB-a0b0dbcb-5
0.304
ALP-POS-05819dc4-1
0.304
MAT-POS-54c4bf04-4
0.304
BEN-DND-b89db3f2-5
0.301
EDJ-MED-edeb0d3a-1
0.301
VLA-UCB-eb340134-3
0.301
NAU-LAT-56d5284e-8
0.300
JAR-KUA-8c13982c-20
0.299
ERI-UCB-a0b0dbcb-2
0.299
ALP-POS-bea7b391-1
0.298
MAT-POS-590ac91e-66
0.297
ERI-UCB-a0b0dbcb-8
0.295
ALP-POS-3fc1724e-4
0.294
BEN-DND-7e92b6ca-12
0.291
MAR-UCB-f313ec4d-5
0.291
MAT-POS-590ac91e-58
0.291
ERI-UCB-d6de1f3c-8
0.289
ALP-POS-fc6c627f-3
0.286
EDJ-MED-6af13d92-1
0.286
MIC-UNK-50cce87d-12
0.284
MAT-POS-590ac91e-43
0.283
MAT-POS-590ac91e-42
0.283
JON-UNI-bb9dc649-16
0.283
ERI-UCB-a0b0dbcb-1
0.281
MAT-POS-590ac91e-69
0.281
ERI-UCB-a0b0dbcb-12
0.277
ALP-POS-19e898d3-1
0.274
BEN-DND-7e92b6ca-11
0.273
KRI-MAR-d2e3ef86-13
0.273
NAU-LAT-56d5284e-1
0.273
VLA-UCB-eb340134-1
0.272
MAT-POS-3b92565d-4
0.270
MAT-POS-e1b5ac6b-2
0.270
LON-WEI-b2874fec-3
0.269
ERI-UCB-d6de1f3c-3
0.268
DAR-DIA-9e4459de-19
0.268
ERI-UCB-a0b0dbcb-11
0.267
VLA-UCB-eb340134-2
0.267
ALP-POS-fc6c627f-2
0.266
ERI-UCB-d6de1f3c-4
0.266
ERI-UCB-d6de1f3c-1
0.265
JAG-UCB-c37fbdcd-1
0.265
MAT-POS-590ac91e-67
0.263
VLA-UNK-5b0345c3-1
0.263
MAT-POS-ea426761-41
0.261
BEN-DND-7e92b6ca-15
0.261
MAT-POS-590ac91e-68
0.261
MIC-UNK-b9827f26-4
0.261
DAR-DIA-9e4459de-23
0.260
NAU-LAT-56d5284e-5
0.259
VLA-UNK-eaa804fd-2
0.259
MAT-POS-590ac91e-48
0.258
ERI-UCB-ce40166b-21
0.258
DAR-DIA-9e4459de-18
0.258