Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1C1CCN(C(=O)c2cc(=O)[nH]c3cccc(OC)c23)C[C@H]1c1cc(F)ccc1F |
MW: | 538.15 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 71.63 |
cLogP: | 5.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-1a77c53a-15
0.752
DAR-DIA-1a77c53a-17
0.692
DAR-DIA-1a77c53a-19
0.686
DAR-DIA-1a77c53a-24
0.670
DAR-DIA-1a77c53a-5
0.661
DAR-DIA-1a77c53a-6
0.661
DAR-DIA-1a77c53a-2
0.606
DAR-DIA-1a77c53a-22
0.591
DAR-DIA-1a77c53a-8
0.578
DAR-DIA-1a77c53a-14
0.568
DAR-DIA-1a77c53a-20
0.518
DAR-DIA-1a77c53a-16
0.512
DAR-DIA-1a77c53a-23
0.509
DAR-DIA-1a77c53a-1
0.505
DAR-DIA-1a77c53a-18
0.504
DAR-DIA-1a77c53a-4
0.500
DAR-DIA-1a77c53a-3
0.500
DAR-DIA-1a77c53a-13
0.488
DAR-DIA-1a77c53a-12
0.488
EDJ-MED-d1cd9639-2
0.482
MAT-POS-3b536971-2
0.477
DAR-DIA-1a77c53a-7
0.466
DAR-DIA-1a77c53a-9
0.462
DAR-DIA-1a77c53a-10
0.435
DAR-DIA-1a77c53a-11
0.435
ALP-POS-bea7b391-2
0.425
EDJ-MED-edeb0d3a-3
0.402
MAT-POS-3b536971-1
0.393
EDJ-MED-edeb0d3a-2
0.393
ALP-POS-bea7b391-3
0.371
EDJ-MED-bbe8e3da-3
0.355
ALP-POS-fc6c627f-1
0.346
VLA-UNK-eaa804fd-3
0.328
EDJ-MED-bbe8e3da-2
0.325
EDJ-MED-6af13d92-3
0.317
MAT-POS-590ac91e-54
0.315
EDJ-MED-d1cd9639-1
0.304
MAT-POS-590ac91e-48
0.302
MAT-POS-590ac91e-49
0.300
EDJ-MED-6af13d92-2
0.298
EDJ-MED-bbe8e3da-4
0.295
ERI-UCB-a0b0dbcb-6
0.294
MAT-POS-590ac91e-69
0.294
JAR-KUA-8c13982c-20
0.289
NAU-LAT-56d5284e-3
0.286
ERI-UCB-a0b0dbcb-5
0.285
NAU-LAT-56d5284e-2
0.285
MAT-POS-54c4bf04-4
0.283
EDJ-MED-bbe8e3da-1
0.281
BEN-DND-b89db3f2-5
0.281
EDJ-MED-edeb0d3a-1
0.281
NAU-LAT-56d5284e-8
0.280
ERI-UCB-a0b0dbcb-9
0.276
ALP-POS-3fc1724e-4
0.276
ALP-POS-05819dc4-1
0.273
ALP-POS-fc6c627f-2
0.270
BEN-DND-7e92b6ca-13
0.266
MAT-POS-590ac91e-70
0.266
ERI-UCB-a0b0dbcb-8
0.266
ERI-UCB-d6de1f3c-8
0.262
VLA-UCB-eb340134-3
0.262
ERI-UCB-d6de1f3c-4
0.261
ALP-POS-bea7b391-1
0.260
ALP-POS-fc6c627f-3
0.259
ALP-POS-19e898d3-1
0.259
VLA-UNK-5b0345c3-1
0.258
ERI-UCB-a0b0dbcb-2
0.258
MAT-POS-590ac91e-67
0.258
MAT-POS-590ac91e-37
0.258
BEN-DND-7e92b6ca-15
0.256
MAT-POS-590ac91e-43
0.256
VLA-UCB-eb340134-1
0.256
MIC-UNK-b9827f26-4
0.256
ERI-UCB-d6de1f3c-3
0.254
VLA-UCB-eb340134-2
0.252
JAG-UCB-c37fbdcd-1
0.250
MAT-POS-590ac91e-65
0.250
MAT-POS-590ac91e-35
0.250
MAT-POS-590ac91e-36
0.250
MIC-UNK-50cce87d-12
0.248
EDJ-MED-6af13d92-1
0.248
MAT-POS-590ac91e-68
0.246
MAT-POS-590ac91e-42
0.246
NAU-LAT-56d5284e-1
0.246
MAT-POS-3b92565d-4
0.244
MAT-POS-e1b5ac6b-2
0.244
VLA-UNK-eaa804fd-2
0.244
MAT-POS-590ac91e-64
0.242
BEN-DND-7e92b6ca-12
0.242
MAR-UCB-f313ec4d-5
0.242
DAR-DIA-9e4459de-19
0.241
DAR-DIA-9e4459de-23
0.241
MAT-POS-590ac91e-63
0.241
ERI-UCB-a0b0dbcb-12
0.240
ERI-UCB-d6de1f3c-1
0.240
DAR-DIA-9e4459de-20
0.240
DAR-DIA-9e4459de-22
0.240
JON-UNI-bb9dc649-16
0.239
MAT-POS-590ac91e-66
0.238
MAT-POS-590ac91e-32
0.238