Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1N1CCN(C(=O)c2cc(=O)[nH]c3cccc(OC)c23)C[C@H]1c1cc(F)ccc1F |
MW: | 539.14 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 74.87 |
cLogP: | 5.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-1a77c53a-16
0.750
DAR-DIA-1a77c53a-18
0.670
DAR-DIA-1a77c53a-20
0.670
DAR-DIA-1a77c53a-3
0.645
DAR-DIA-1a77c53a-4
0.645
DAR-DIA-1a77c53a-23
0.642
DAR-DIA-1a77c53a-1
0.598
DAR-DIA-1a77c53a-21
0.591
DAR-DIA-1a77c53a-7
0.579
DAR-DIA-1a77c53a-9
0.560
DAR-DIA-1a77c53a-19
0.530
DAR-DIA-1a77c53a-15
0.525
DAR-DIA-1a77c53a-17
0.522
DAR-DIA-1a77c53a-24
0.517
EDJ-MED-d1cd9639-2
0.514
DAR-DIA-1a77c53a-2
0.509
DAR-DIA-1a77c53a-5
0.500
DAR-DIA-1a77c53a-6
0.500
DAR-DIA-1a77c53a-10
0.500
DAR-DIA-1a77c53a-11
0.500
MAT-POS-3b536971-2
0.481
DAR-DIA-1a77c53a-8
0.474
DAR-DIA-1a77c53a-14
0.454
DAR-DIA-1a77c53a-12
0.432
DAR-DIA-1a77c53a-13
0.432
ALP-POS-bea7b391-2
0.393
EDJ-MED-edeb0d3a-2
0.385
MAT-POS-3b536971-1
0.385
EDJ-MED-edeb0d3a-3
0.381
EDJ-MED-bbe8e3da-3
0.358
ALP-POS-bea7b391-3
0.352
ALP-POS-fc6c627f-1
0.349
VLA-UNK-eaa804fd-3
0.331
MAT-POS-590ac91e-54
0.328
EDJ-MED-d1cd9639-1
0.328
EDJ-MED-6af13d92-3
0.319
EDJ-MED-bbe8e3da-2
0.317
MAT-POS-590ac91e-69
0.317
BEN-DND-7e92b6ca-13
0.311
MAT-POS-54c4bf04-4
0.306
JAR-KUA-8c13982c-20
0.303
MAT-POS-590ac91e-67
0.301
EDJ-MED-6af13d92-2
0.301
EDJ-MED-bbe8e3da-4
0.297
MAT-POS-590ac91e-48
0.295
JAG-UCB-c37fbdcd-1
0.291
JAG-UCB-c37fbdcd-2
0.287
MIC-UNK-b9827f26-4
0.287
ERI-UCB-a0b0dbcb-6
0.286
EDJ-MED-bbe8e3da-1
0.284
ERI-UCB-a0b0dbcb-9
0.279
ALP-POS-3fc1724e-4
0.278
ERI-UCB-a0b0dbcb-8
0.278
MAT-POS-590ac91e-70
0.278
ERI-UCB-a0b0dbcb-5
0.277
MAT-POS-590ac91e-49
0.273
NAU-LAT-56d5284e-8
0.272
MAT-POS-590ac91e-35
0.271
BEN-DND-7e92b6ca-15
0.268
NAU-LAT-56d5284e-3
0.268
MAT-POS-590ac91e-68
0.268
MAT-POS-e1b5ac6b-2
0.266
MAT-POS-3b92565d-4
0.266
ALP-POS-05819dc4-1
0.266
MAT-POS-590ac91e-58
0.264
BEN-DND-b89db3f2-5
0.264
ERI-UCB-d6de1f3c-8
0.264
MAT-POS-590ac91e-64
0.264
EDJ-MED-edeb0d3a-1
0.264
DAR-DIA-9e4459de-20
0.263
ALP-POS-fc6c627f-2
0.263
MAT-POS-590ac91e-56
0.262
MAT-POS-590ac91e-65
0.262
ALP-POS-fc6c627f-3
0.261
ALP-POS-19e898d3-1
0.261
ERI-UCB-a0b0dbcb-2
0.260
MAT-POS-590ac91e-66
0.260
MAT-POS-590ac91e-42
0.258
MAT-POS-590ac91e-43
0.258
DAR-DIA-9e4459de-23
0.257
BEN-DND-7e92b6ca-16
0.256
BEN-DND-7e92b6ca-12
0.254
MAR-UCB-f313ec4d-5
0.254
VLA-UCB-eb340134-2
0.254
DAR-DIA-9e4459de-17
0.253
MAT-POS-590ac91e-36
0.252
EDJ-MED-6af13d92-1
0.250
DAR-DIA-9e4459de-21
0.249
BEN-DND-7e92b6ca-14
0.248
NAU-LAT-56d5284e-2
0.246
KRI-MAR-d2e3ef86-7
0.246
MAT-POS-590ac91e-59
0.244
LON-WEI-1908424e-7
0.243
DAR-DIA-9e4459de-19
0.243
MAT-POS-590ac91e-63
0.242
MAT-POS-590ac91e-57
0.242
ERI-UCB-a0b0dbcb-12
0.242
ERI-UCB-d6de1f3c-1
0.242
DAR-DIA-9e4459de-22
0.241
MAT-POS-590ac91e-53
0.241