Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1C1CCN(C(=O)c2cc(=O)[nH]c3cccc(OC)c23)C[C@@H]1CC(C)C |
MW: | 482.2 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 71.63 |
cLogP: | 5.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-1a77c53a-6
1.000
DAR-DIA-1a77c53a-19
0.706
DAR-DIA-1a77c53a-17
0.696
DAR-DIA-1a77c53a-24
0.689
DAR-DIA-1a77c53a-21
0.661
DAR-DIA-1a77c53a-15
0.661
DAR-DIA-1a77c53a-2
0.640
DAR-DIA-1a77c53a-13
0.595
DAR-DIA-1a77c53a-12
0.595
DAR-DIA-1a77c53a-14
0.583
DAR-DIA-1a77c53a-4
0.582
DAR-DIA-1a77c53a-3
0.582
DAR-DIA-1a77c53a-8
0.579
DAR-DIA-1a77c53a-23
0.536
DAR-DIA-1a77c53a-20
0.532
DAR-DIA-1a77c53a-11
0.522
DAR-DIA-1a77c53a-10
0.522
DAR-DIA-1a77c53a-1
0.519
DAR-DIA-1a77c53a-18
0.518
DAR-DIA-1a77c53a-22
0.500
MAT-POS-3b536971-2
0.491
DAR-DIA-1a77c53a-16
0.488
EDJ-MED-d1cd9639-2
0.481
DAR-DIA-1a77c53a-9
0.474
DAR-DIA-1a77c53a-7
0.465
ALP-POS-bea7b391-2
0.436
EDJ-MED-edeb0d3a-2
0.404
MAT-POS-3b536971-1
0.404
EDJ-MED-edeb0d3a-3
0.400
ALP-POS-bea7b391-3
0.369
EDJ-MED-bbe8e3da-2
0.355
VLA-UNK-eaa804fd-3
0.347
ALP-POS-fc6c627f-1
0.344
EDJ-MED-bbe8e3da-3
0.342
EDJ-MED-6af13d92-3
0.336
MAT-POS-590ac91e-54
0.333
NAU-LAT-56d5284e-2
0.314
EDJ-MED-bbe8e3da-4
0.312
EDJ-MED-d1cd9639-1
0.311
ERI-UCB-a0b0dbcb-6
0.311
ERI-UCB-a0b0dbcb-9
0.305
NAU-LAT-56d5284e-3
0.303
ERI-UCB-a0b0dbcb-5
0.302
EDJ-MED-bbe8e3da-1
0.298
EDJ-MED-6af13d92-2
0.295
MAT-POS-54c4bf04-4
0.290
NAU-LAT-56d5284e-8
0.287
ERI-UCB-d6de1f3c-4
0.285
ALP-POS-fc6c627f-3
0.285
MIC-UNK-50cce87d-12
0.283
BEN-DND-7e92b6ca-13
0.283
ALP-POS-05819dc4-1
0.280
BEN-DND-b89db3f2-5
0.278
EDJ-MED-edeb0d3a-1
0.278
ERI-UCB-d6de1f3c-8
0.278
ERI-UCB-d6de1f3c-3
0.277
DAR-DIA-9e4459de-19
0.275
ERI-UCB-a0b0dbcb-2
0.275
JAR-KUA-8c13982c-20
0.275
EDJ-MED-6af13d92-1
0.274
ALP-POS-3fc1724e-4
0.273
VLA-UNK-5b0345c3-1
0.272
ERI-UCB-a0b0dbcb-8
0.272
MIC-UNK-50cce87d-8
0.272
HYO-UNK-1dbfcf16-1
0.270
VLA-UCB-eb340134-3
0.268
ERI-UCB-a0b0dbcb-12
0.266
ALP-POS-bea7b391-1
0.266
ALP-POS-19e898d3-1
0.265
NAU-LAT-56d5284e-1
0.262
MAT-POS-590ac91e-43
0.262
MAT-POS-590ac91e-42
0.262
MAT-POS-590ac91e-70
0.262
MIC-UNK-b9827f26-4
0.262
MAT-POS-590ac91e-48
0.260
DAR-DIA-9e4459de-18
0.259
DAR-DIA-9e4459de-22
0.259
DAR-DIA-9e4459de-20
0.259
BEN-DND-7e92b6ca-12
0.258
MAR-UCB-f313ec4d-5
0.258
MAT-POS-590ac91e-49
0.258
ALP-POS-fc6c627f-2
0.257
VLA-UNK-5b0345c3-4
0.257
JAG-UCB-c37fbdcd-1
0.256
MAT-POS-590ac91e-66
0.254
NAU-LAT-56d5284e-4
0.254
DAR-DIA-9e4459de-23
0.253
VLA-UCB-eb340134-1
0.252
MAT-POS-3b92565d-4
0.250
MAT-POS-e1b5ac6b-2
0.250
MAT-POS-590ac91e-69
0.250
NAU-LAT-56d5284e-7
0.250
DAR-DIA-9e4459de-17
0.249
ERI-UCB-a0b0dbcb-11
0.248
VLA-UCB-eb340134-2
0.248
MAT-POS-590ac91e-58
0.248
MAT-UCB-70f7c0f7-4
0.248
DAR-DIA-8e329c92-7
0.246
ERI-UCB-d6de1f3c-1
0.246
JAN-GHE-82a280f8-1
0.244