Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1C1CCN(C(=O)c2cc(=O)[nH]c3cccc(OC)c23)C[C@H]1c1cccc(F)c1 |
MW: | 520.16 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 71.63 |
cLogP: | 5.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-1a77c53a-21
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-16
0.578
DAR-DIA-1a77c53a-14
0.568
DAR-DIA-1a77c53a-8
0.564
DAR-DIA-1a77c53a-22
0.525
DAR-DIA-1a77c53a-20
0.518
DAR-DIA-1a77c53a-3
0.513
DAR-DIA-1a77c53a-4
0.513
DAR-DIA-1a77c53a-23
0.509
DAR-DIA-1a77c53a-1
0.505
DAR-DIA-1a77c53a-18
0.504
DAR-DIA-1a77c53a-12
0.500
DAR-DIA-1a77c53a-13
0.500
EDJ-MED-d1cd9639-2
0.482
MAT-POS-3b536971-2
0.477
DAR-DIA-1a77c53a-9
0.462
DAR-DIA-1a77c53a-10
0.459
DAR-DIA-1a77c53a-11
0.459
DAR-DIA-1a77c53a-7
0.453
ALP-POS-bea7b391-2
0.413
MAT-POS-3b536971-1
0.393
EDJ-MED-edeb0d3a-2
0.393
EDJ-MED-edeb0d3a-3
0.390
EDJ-MED-bbe8e3da-3
0.367
ALP-POS-bea7b391-3
0.349
ALP-POS-fc6c627f-1
0.346
EDJ-MED-bbe8e3da-2
0.336
VLA-UNK-eaa804fd-3
0.328
EDJ-MED-6af13d92-3
0.317
NAU-LAT-56d5284e-2
0.317
MAT-POS-590ac91e-54
0.315
EDJ-MED-d1cd9639-1
0.315
ERI-UCB-a0b0dbcb-6
0.304
VLA-UCB-eb340134-3
0.302
JAR-KUA-8c13982c-20
0.300
EDJ-MED-6af13d92-2
0.298
NAU-LAT-56d5284e-3
0.296
ERI-UCB-a0b0dbcb-5
0.295
EDJ-MED-bbe8e3da-4
0.295
MAT-POS-54c4bf04-4
0.294
MAT-POS-590ac91e-48
0.292
NAU-LAT-56d5284e-8
0.290
ERI-UCB-a0b0dbcb-9
0.287
ALP-POS-3fc1724e-4
0.286
VLA-UCB-eb340134-1
0.286
ALP-POS-05819dc4-1
0.283
MAT-POS-590ac91e-69
0.283
EDJ-MED-bbe8e3da-1
0.281
ERI-UCB-d6de1f3c-8
0.281
BEN-DND-b89db3f2-5
0.281
EDJ-MED-edeb0d3a-1
0.281
VLA-UCB-eb340134-2
0.281
MAT-POS-590ac91e-49
0.280
NAU-LAT-56d5284e-1
0.276
BEN-DND-7e92b6ca-13
0.276
BEN-DND-7e92b6ca-15
0.276
MAT-POS-590ac91e-70
0.276
ERI-UCB-a0b0dbcb-8
0.276
ALP-POS-fc6c627f-3
0.269
ERI-UCB-a0b0dbcb-2
0.268
ALP-POS-19e898d3-1
0.268
MAR-UCB-f313ec4d-5
0.262
BEN-DND-7e92b6ca-12
0.262
ALP-POS-fc6c627f-2
0.261
ERI-UCB-d6de1f3c-4
0.261
ALP-POS-bea7b391-1
0.260
MAT-POS-590ac91e-35
0.259
JAN-GHE-82a280f8-1
0.258
MAT-POS-590ac91e-67
0.258
MIC-UNK-50cce87d-12
0.258
BEN-DND-7e92b6ca-14
0.256
MAT-POS-3b92565d-4
0.254
MAT-POS-e1b5ac6b-2
0.254
ERI-UCB-a0b0dbcb-1
0.254
ERI-UCB-d6de1f3c-3
0.254
JAG-UCB-c37fbdcd-1
0.250
ERI-UCB-a0b0dbcb-12
0.250
ERI-UCB-d6de1f3c-1
0.250
VLA-UNK-5b0345c3-1
0.250
EDJ-MED-6af13d92-1
0.248
NAU-LAT-56d5284e-4
0.248
MIC-UNK-b9827f26-4
0.246
MIC-UNK-50cce87d-8
0.246
MAT-POS-590ac91e-68
0.246
MAT-POS-590ac91e-42
0.246
MAT-POS-590ac91e-43
0.246
KRI-MAR-d2e3ef86-13
0.246
BEN-DND-7e92b6ca-11
0.246
MAT-POS-590ac91e-39
0.244
VLA-UNK-eaa804fd-2
0.244
NAU-LAT-56d5284e-5
0.244
NAU-LAT-56d5284e-7
0.244
BEN-DND-7e92b6ca-16
0.244
ERI-UCB-a0b0dbcb-11
0.242