Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1C1CCN(C(=O)c2cc(=O)[nH]c3cccc(OC)c23)C[C@H]1C1CC1 |
MW: | 466.17 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 71.63 |
cLogP: | 4.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-1a77c53a-17
0.724
DAR-DIA-1a77c53a-19
0.717
DAR-DIA-1a77c53a-5
0.689
DAR-DIA-1a77c53a-6
0.689
DAR-DIA-1a77c53a-15
0.670
DAR-DIA-1a77c53a-21
0.670
DAR-DIA-1a77c53a-2
0.667
DAR-DIA-1a77c53a-14
0.637
DAR-DIA-1a77c53a-8
0.618
DAR-DIA-1a77c53a-23
0.570
DAR-DIA-1a77c53a-1
0.539
DAR-DIA-1a77c53a-18
0.537
DAR-DIA-1a77c53a-20
0.537
DAR-DIA-1a77c53a-12
0.531
DAR-DIA-1a77c53a-13
0.531
DAR-DIA-1a77c53a-4
0.518
DAR-DIA-1a77c53a-3
0.518
DAR-DIA-1a77c53a-22
0.517
MAT-POS-3b536971-2
0.510
EDJ-MED-d1cd9639-2
0.500
DAR-DIA-1a77c53a-16
0.492
DAR-DIA-1a77c53a-9
0.491
DAR-DIA-1a77c53a-7
0.482
DAR-DIA-1a77c53a-10
0.462
DAR-DIA-1a77c53a-11
0.462
ALP-POS-bea7b391-2
0.451
EDJ-MED-edeb0d3a-2
0.431
MAT-POS-3b536971-1
0.431
EDJ-MED-edeb0d3a-3
0.402
VLA-UNK-eaa804fd-3
0.372
ALP-POS-bea7b391-3
0.370
EDJ-MED-bbe8e3da-2
0.356
ALP-POS-fc6c627f-1
0.355
EDJ-MED-bbe8e3da-3
0.353
EDJ-MED-6af13d92-3
0.348
MAT-POS-590ac91e-54
0.333
NAU-LAT-56d5284e-3
0.325
NAU-LAT-56d5284e-2
0.325
EDJ-MED-bbe8e3da-4
0.322
EDJ-MED-d1cd9639-1
0.322
ERI-UCB-a0b0dbcb-6
0.322
NAU-LAT-56d5284e-8
0.319
ERI-UCB-a0b0dbcb-5
0.311
ALP-POS-05819dc4-1
0.311
MAT-POS-54c4bf04-4
0.311
EDJ-MED-bbe8e3da-1
0.307
EDJ-MED-6af13d92-2
0.305
ERI-UCB-a0b0dbcb-9
0.304
VLA-UCB-eb340134-3
0.298
ALP-POS-fc6c627f-3
0.294
BEN-DND-7e92b6ca-13
0.293
ERI-UCB-a0b0dbcb-8
0.292
ERI-UCB-d6de1f3c-8
0.287
BEN-DND-b89db3f2-5
0.287
EDJ-MED-edeb0d3a-1
0.287
ALP-POS-bea7b391-1
0.285
ERI-UCB-a0b0dbcb-2
0.284
ALP-POS-19e898d3-1
0.282
VLA-UCB-eb340134-1
0.281
MAT-POS-590ac91e-70
0.281
ERI-UCB-d6de1f3c-4
0.274
EDJ-MED-6af13d92-1
0.273
ALP-POS-3fc1724e-4
0.271
NAU-LAT-56d5284e-1
0.271
MAT-POS-590ac91e-42
0.270
ERI-UCB-d6de1f3c-3
0.267
MAR-UCB-f313ec4d-5
0.267
BEN-DND-7e92b6ca-12
0.267
VLA-UCB-eb340134-2
0.266
MAT-POS-590ac91e-49
0.266
ALP-POS-fc6c627f-2
0.265
ERI-UCB-a0b0dbcb-12
0.264
ERI-UCB-d6de1f3c-1
0.264
JAR-KUA-8c13982c-20
0.263
MAT-POS-590ac91e-66
0.262
VLA-UNK-5b0345c3-1
0.262
MIC-UNK-50cce87d-12
0.262
MAT-POS-590ac91e-43
0.260
MIC-UNK-b9827f26-4
0.260
DAR-DIA-9e4459de-23
0.259
DAR-DIA-9e4459de-19
0.259
NAU-LAT-56d5284e-5
0.258
NAU-LAT-56d5284e-7
0.258
MAT-POS-3b92565d-4
0.258
MAT-POS-e1b5ac6b-2
0.258
ERI-UCB-a0b0dbcb-1
0.258
MAT-POS-590ac91e-69
0.258
MAT-POS-590ac91e-48
0.258
DAR-DIA-9e4459de-22
0.258
DAR-DIA-9e4459de-20
0.257
MAT-POS-590ac91e-58
0.256
DAR-DIA-9e4459de-17
0.255
JAG-UCB-c37fbdcd-1
0.254
DAR-DIA-8e329c92-7
0.254
NAU-LAT-56d5284e-4
0.252
NAU-LAT-56d5284e-6
0.252
JAN-GHE-82a280f8-1
0.252
MIC-UNK-50cce87d-8
0.250
DAR-DIA-9e4459de-18
0.250
DAR-DIA-9e4459de-21
0.250