Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1C1CCN(C(=O)c2cc(=O)[nH]c3cccc(OC)c23)CC1C(F)(F)F |
MW: | 494.12 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 71.63 |
cLogP: | 5.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
high halogen content (>3)
DAR-DIA-1a77c53a-17
0.837
DAR-DIA-1a77c53a-24
0.717
DAR-DIA-1a77c53a-5
0.706
DAR-DIA-1a77c53a-6
0.706
DAR-DIA-1a77c53a-15
0.686
DAR-DIA-1a77c53a-21
0.686
DAR-DIA-1a77c53a-2
0.649
DAR-DIA-1a77c53a-14
0.606
DAR-DIA-1a77c53a-8
0.602
DAR-DIA-1a77c53a-20
0.596
DAR-DIA-1a77c53a-18
0.551
DAR-DIA-1a77c53a-23
0.541
DAR-DIA-1a77c53a-1
0.539
DAR-DIA-1a77c53a-3
0.532
DAR-DIA-1a77c53a-4
0.532
DAR-DIA-1a77c53a-22
0.530
DAR-DIA-1a77c53a-12
0.518
DAR-DIA-1a77c53a-13
0.518
MAT-POS-3b536971-2
0.510
DAR-DIA-1a77c53a-16
0.504
EDJ-MED-d1cd9639-2
0.500
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-3
0.414
EDJ-MED-edeb0d3a-2
0.405
MAT-POS-3b536971-1
0.405
ALP-POS-bea7b391-3
0.381
EDJ-MED-bbe8e3da-2
0.356
ALP-POS-fc6c627f-1
0.355
EDJ-MED-bbe8e3da-3
0.353
EDJ-MED-6af13d92-3
0.348
VLA-UNK-eaa804fd-3
0.348
MAT-POS-590ac91e-54
0.344
EDJ-MED-bbe8e3da-4
0.322
ERI-UCB-a0b0dbcb-6
0.322
EDJ-MED-6af13d92-2
0.316
EDJ-MED-d1cd9639-1
0.311
EDJ-MED-bbe8e3da-1
0.307
ERI-UCB-a0b0dbcb-9
0.304
NAU-LAT-56d5284e-3
0.303
NAU-LAT-56d5284e-2
0.302
ERI-UCB-a0b0dbcb-5
0.301
MAT-POS-54c4bf04-4
0.300
NAU-LAT-56d5284e-8
0.297
EDJ-MED-edeb0d3a-1
0.287
BEN-DND-b89db3f2-5
0.287
JAR-KUA-8c13982c-20
0.284
ALP-POS-fc6c627f-3
0.283
ALP-POS-19e898d3-1
0.282
BEN-DND-7e92b6ca-13
0.282
ERI-UCB-a0b0dbcb-8
0.281
ALP-POS-05819dc4-1
0.279
ERI-UCB-d6de1f3c-8
0.276
VLA-UCB-eb340134-3
0.276
DAR-DIA-9e4459de-19
0.274
ERI-UCB-a0b0dbcb-2
0.274
DAR-DIA-9e4459de-22
0.273
EDJ-MED-6af13d92-1
0.273
ALP-POS-3fc1724e-4
0.271
MAT-POS-590ac91e-42
0.270
MAT-POS-590ac91e-43
0.270
MAT-POS-590ac91e-70
0.270
MIC-UNK-b9827f26-4
0.270
MAT-POS-590ac91e-48
0.268
VLA-UCB-eb340134-2
0.266
MAT-POS-590ac91e-49
0.266
DAR-DIA-9e4459de-18
0.265
ALP-POS-fc6c627f-2
0.265
DAR-DIA-9e4459de-20
0.265
ERI-UCB-d6de1f3c-4
0.265
ALP-POS-bea7b391-1
0.264
DAR-DIA-9e4459de-17
0.262
VLA-UNK-5b0345c3-1
0.262
MIC-UNK-50cce87d-12
0.262
NAU-LAT-56d5284e-1
0.261
VLA-UCB-eb340134-1
0.260
DAR-DIA-9e4459de-23
0.259
NAU-LAT-56d5284e-7
0.258
MAT-POS-590ac91e-69
0.258
DAR-DIA-9e4459de-21
0.258
ERI-UCB-d6de1f3c-3
0.257
MAR-UCB-f313ec4d-5
0.256
BEN-DND-7e92b6ca-12
0.256
JON-UNI-bb9dc649-16
0.255
ERI-UCB-a0b0dbcb-12
0.254
ERI-UCB-d6de1f3c-1
0.254
JAG-UCB-c37fbdcd-1
0.254
MAT-POS-590ac91e-66
0.252
MIC-UNK-50cce87d-8
0.250
DAR-DIA-9e4459de-24
0.249
ERI-UCB-a0b0dbcb-1
0.248
MAT-POS-e1b5ac6b-2
0.248
MAT-POS-3b92565d-4
0.248
NAU-LAT-56d5284e-5
0.248
MAT-UCB-70f7c0f7-4
0.246
MAT-POS-590ac91e-58
0.246
ERI-UCB-a0b0dbcb-4
0.244