Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1N1CCN(C(=O)c2cc(=O)[nH]c3cccc(OC)c23)C[C@H]1CC(C)C |
MW: | 483.19 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 74.87 |
cLogP: | 4.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-1a77c53a-4
1.000
DAR-DIA-1a77c53a-20
0.711
DAR-DIA-1a77c53a-23
0.697
DAR-DIA-1a77c53a-18
0.694
DAR-DIA-1a77c53a-16
0.676
DAR-DIA-1a77c53a-22
0.645
DAR-DIA-1a77c53a-10
0.644
DAR-DIA-1a77c53a-11
0.644
DAR-DIA-1a77c53a-1
0.635
DAR-DIA-1a77c53a-7
0.598
DAR-DIA-1a77c53a-9
0.592
DAR-DIA-1a77c53a-6
0.582
DAR-DIA-1a77c53a-5
0.582
DAR-DIA-1a77c53a-12
0.545
DAR-DIA-1a77c53a-13
0.545
EDJ-MED-d1cd9639-2
0.545
DAR-DIA-1a77c53a-19
0.532
DAR-DIA-1a77c53a-2
0.524
DAR-DIA-1a77c53a-17
0.523
DAR-DIA-1a77c53a-24
0.518
DAR-DIA-1a77c53a-15
0.513
MAT-POS-3b536971-2
0.510
DAR-DIA-1a77c53a-21
0.500
DAR-DIA-1a77c53a-8
0.473
DAR-DIA-1a77c53a-14
0.465
MAT-POS-3b536971-1
0.418
EDJ-MED-edeb0d3a-2
0.418
EDJ-MED-edeb0d3a-3
0.414
ALP-POS-bea7b391-2
0.390
EDJ-MED-bbe8e3da-3
0.365
VLA-UNK-eaa804fd-3
0.360
ALP-POS-bea7b391-3
0.358
EDJ-MED-bbe8e3da-2
0.356
ALP-POS-fc6c627f-1
0.355
EDJ-MED-6af13d92-3
0.348
EDJ-MED-d1cd9639-1
0.345
MAT-POS-590ac91e-54
0.344
BEN-DND-7e92b6ca-13
0.327
HYO-UNK-1dbfcf16-1
0.325
EDJ-MED-bbe8e3da-4
0.322
MAT-POS-54c4bf04-4
0.322
JAG-UCB-c37fbdcd-1
0.317
EDJ-MED-6af13d92-2
0.316
EDJ-MED-bbe8e3da-1
0.307
JAR-KUA-8c13982c-20
0.307
ERI-UCB-a0b0dbcb-5
0.301
MIC-UNK-b9827f26-4
0.301
ERI-UCB-a0b0dbcb-6
0.300
ERI-UCB-a0b0dbcb-9
0.293
ALP-POS-3fc1724e-4
0.291
ALP-POS-05819dc4-1
0.289
DAR-DIA-9e4459de-20
0.288
BEN-DND-b89db3f2-5
0.287
EDJ-MED-edeb0d3a-1
0.287
MAT-POS-590ac91e-42
0.281
MAT-POS-590ac91e-43
0.281
ERI-UCB-a0b0dbcb-8
0.281
MAT-POS-590ac91e-70
0.281
JAG-UCB-c37fbdcd-2
0.280
MAT-POS-590ac91e-48
0.278
ERI-UCB-d6de1f3c-8
0.276
NAU-LAT-56d5284e-8
0.275
SAD-SAT-c989feaa-10
0.274
ERI-UCB-d6de1f3c-4
0.274
ERI-UCB-a0b0dbcb-2
0.274
ALP-POS-fc6c627f-3
0.273
EDJ-MED-6af13d92-1
0.273
MAT-POS-590ac91e-53
0.271
NAU-LAT-56d5284e-3
0.270
MAT-POS-e1b5ac6b-2
0.269
MAT-POS-3b92565d-4
0.269
MAT-POS-590ac91e-69
0.268
DAR-DIA-9e4459de-23
0.267
BEN-DND-7e92b6ca-12
0.267
MAT-POS-590ac91e-58
0.267
DAR-DIA-9e4459de-19
0.267
MAR-UCB-f313ec4d-5
0.267
MAT-POS-590ac91e-49
0.266
DAR-DIA-9e4459de-21
0.265
ALP-POS-fc6c627f-2
0.265
ERI-UCB-a0b0dbcb-12
0.264
ALP-POS-19e898d3-1
0.263
MAT-POS-590ac91e-66
0.262
MAT-POS-590ac91e-67
0.262
DAR-DIA-9e4459de-17
0.262
JON-UNI-bb9dc649-12
0.261
SAD-SAT-c989feaa-6
0.261
DAN-LON-a5fc619e-3
0.261
JOH-UNI-0e1753c1-5
0.261
BEN-DND-7e92b6ca-16
0.259
JOH-UNI-0e1753c1-4
0.259
NAU-LAT-56d5284e-2
0.258
ERI-UCB-d6de1f3c-3
0.257
VLA-UCB-eb340134-2
0.256
ERI-UCB-a0b0dbcb-11
0.256
DAR-DIA-9e4459de-24
0.256
JON-UNI-bb9dc649-16
0.255
ERI-UCB-d6de1f3c-1
0.254
MAT-POS-590ac91e-35
0.254
DAR-DIA-8e329c92-7
0.254