Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)[C@@H]1CCOc2c(CC3CC4(CC4)CN3)cc(Cl)cc21 |
MW: | 411.17 |
Fraction sp3: | 0.48 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 63.25 |
cLogP: | 4.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-23e5a6a0-20
0.768
DAR-DIA-23e5a6a0-17
0.745
DAR-DIA-23e5a6a0-18
0.735
DAR-DIA-23e5a6a0-16
0.713
DAR-DIA-23e5a6a0-9
0.673
DAR-DIA-23e5a6a0-14
0.596
DAR-DIA-23e5a6a0-15
0.532
DAR-DIA-23e5a6a0-11
0.531
DAR-DIA-23e5a6a0-27
0.524
DAR-DIA-23e5a6a0-12
0.522
DAR-DIA-23e5a6a0-13
0.513
DAR-DIA-23e5a6a0-10
0.504
DAR-DIA-23e5a6a0-7
0.492
DAR-DIA-23e5a6a0-8
0.483
BRU-CON-c4e3408a-1
0.476
MAT-POS-b3e365b9-3
0.476
MAT-POS-b3e365b9-4
0.476
DAR-DIA-6a508060-6
0.476
JAN-GHE-f4ca5a00-13
0.476
DAR-DIA-6a508060-5
0.474
DAR-DIA-23e5a6a0-6
0.471
JAG-UCB-c61058a9-39
0.447
ADA-UCB-6c2cb422-2
0.410
LAU-MED-88a3970a-11
0.408
LAU-MED-88a3970a-12
0.408
RAL-THA-05e671eb-18
0.404
LAU-MED-88a3970a-10
0.400
LAU-MED-88a3970a-9
0.400
LAU-MED-88a3970a-18
0.400
LAU-MED-88a3970a-17
0.400
DAR-DIA-23e5a6a0-4
0.398
LAU-MED-88a3970a-5
0.398
LAU-MED-88a3970a-6
0.398
LAU-MED-88a3970a-13
0.397
LAU-MED-88a3970a-14
0.397
LAU-MED-88a3970a-8
0.392
LAU-MED-88a3970a-7
0.392
DAR-DIA-23e5a6a0-28
0.390
LAU-MED-88a3970a-15
0.388
LAU-MED-88a3970a-16
0.388
MAT-POS-590ac91e-21
0.384
DAR-DIA-23e5a6a0-29
0.381
DAR-DIA-23e5a6a0-23
0.374
MIC-UNK-ea979c74-3
0.370
MAT-POS-5369c344-4
0.369
DAR-DIA-0587064e-12
0.369
MAT-POS-5369c344-7
0.367
DAR-DIA-0587064e-17
0.363
MAK-UNK-919546f0-1
0.363
MAK-UNK-f481d203-1
0.363
MAK-UNK-f481d203-2
0.363
DAR-DIA-23e5a6a0-25
0.362
EDJ-MED-e4b030d8-7
0.361
DAR-DIA-6a508060-4
0.361
RAL-THA-05e671eb-19
0.361
DAR-DIA-23e5a6a0-21
0.361
MAT-POS-43fe65f4-1
0.361
MAT-POS-590ac91e-24
0.360
ALP-POS-ce760d3f-1
0.359
DAR-DIA-0587064e-22
0.357
MAT-POS-5369c344-5
0.357
LAU-MED-88a3970a-1
0.355
LAU-MED-88a3970a-2
0.355
LON-WEI-0a73fcb8-7
0.351
KAD-UNI-877d7bed-12
0.351
RAL-THA-05e671eb-16
0.350
ALP-UNI-3735e77e-2
0.350
DAR-DIA-23e5a6a0-22
0.350
LAU-MED-88a3970a-3
0.349
LAU-MED-88a3970a-4
0.349
DAR-DIA-23e5a6a0-1
0.348
DAR-DIA-23e5a6a0-5
0.346
NAU-LAT-0543f7f2-10
0.346
DAR-DIA-0587064e-24
0.346
KAD-UNI-877d7bed-6
0.346
RAL-THA-05e671eb-17
0.345
DAR-DIA-0587064e-15
0.344
MAT-POS-5369c344-1
0.344
DAR-DIA-0587064e-20
0.344
KAD-UNI-877d7bed-15
0.343
DAR-DIA-23e5a6a0-30
0.342
MIC-UNK-ea979c74-2
0.342
DAR-DIA-0587064e-10
0.341
MAT-POS-5369c344-2
0.341
DAR-DIA-23e5a6a0-2
0.341
MAT-POS-5369c344-6
0.341
EDJ-MED-e9694d2b-1
0.339
ERI-UCB-9c7ec71b-2
0.339
EDJ-MED-e4b030d8-5
0.339
MAT-POS-590ac91e-22
0.337
MAT-POS-e501d84c-1
0.336
DAR-DIA-23e5a6a0-24
0.336
ALP-POS-fe871b40-1
0.336
RAL-THA-05e671eb-20
0.336
VLA-UCB-05e51b3f-11
0.336
VLA-UCB-50c39ae8-8
0.336
DAR-DIA-23e5a6a0-3
0.336
KAD-UNI-877d7bed-7
0.333
KAD-UNI-877d7bed-10
0.333
KAD-UNI-877d7bed-20
0.333