Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)[C@@H]1CCOc2c(OC3CC4(CC4)CN3)cc(Cl)cc21 |
MW: | 413.15 |
Fraction sp3: | 0.45 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 72.48 |
cLogP: | 4.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-23e5a6a0-15
0.753
DAR-DIA-23e5a6a0-12
0.737
DAR-DIA-23e5a6a0-11
0.730
DAR-DIA-23e5a6a0-13
0.727
DAR-DIA-23e5a6a0-4
0.673
DAR-DIA-23e5a6a0-19
0.596
DAR-DIA-23e5a6a0-20
0.541
DAR-DIA-23e5a6a0-17
0.527
DAR-DIA-23e5a6a0-18
0.518
DAR-DIA-23e5a6a0-16
0.518
DAR-DIA-23e5a6a0-5
0.496
DAR-DIA-23e5a6a0-28
0.491
JAN-GHE-f4ca5a00-13
0.490
MAT-POS-b3e365b9-4
0.490
BRU-CON-c4e3408a-1
0.490
DAR-DIA-6a508060-6
0.490
MAT-POS-b3e365b9-3
0.490
DAR-DIA-23e5a6a0-2
0.487
VLA-UCB-50c39ae8-8
0.487
VLA-UCB-05e51b3f-11
0.487
DAR-DIA-23e5a6a0-1
0.483
DAR-DIA-23e5a6a0-3
0.483
JAG-UCB-c61058a9-40
0.460
ALP-POS-beec22ab-1
0.460
BAR-COM-df4db19c-1
0.460
ADA-UCB-b1b30a00-10
0.460
EDJ-MED-e4b030d8-4
0.440
EDJ-MED-e4b030d8-7
0.421
DAR-DIA-6a508060-4
0.421
RAL-THA-05e671eb-19
0.421
MAT-POS-43fe65f4-1
0.421
ADA-UCB-6c2cb422-2
0.410
BAR-COM-ace1b61b-3
0.409
MAT-POS-5369c344-4
0.403
DAR-DIA-0587064e-12
0.403
DAR-DIA-23e5a6a0-9
0.398
DAR-DIA-0587064e-17
0.397
DAR-DIA-0587064e-10
0.395
MAT-POS-5369c344-2
0.395
MAT-POS-5369c344-6
0.394
RAL-THA-05e671eb-18
0.391
DAR-DIA-23e5a6a0-27
0.391
MAT-POS-e478a234-1
0.389
MAT-POS-5369c344-7
0.389
DAR-DIA-0587064e-15
0.388
LAU-MED-88a3970a-1
0.388
LAU-MED-88a3970a-2
0.388
MAT-POS-5369c344-1
0.388
MAT-POS-590ac91e-21
0.384
LAU-MED-88a3970a-3
0.382
LAU-MED-88a3970a-4
0.382
KAD-UNI-877d7bed-12
0.382
DAR-DIA-0587064e-22
0.378
NAU-LAT-0543f7f2-10
0.378
MAT-POS-5369c344-5
0.378
DAR-DIA-0587064e-20
0.375
KAD-UNI-877d7bed-15
0.374
KAD-UNI-877d7bed-14
0.373
MAT-POS-5369c344-3
0.373
DAR-DIA-0587064e-19
0.373
KAD-UNI-877d7bed-1
0.369
DAR-DIA-0587064e-24
0.366
KAD-UNI-877d7bed-6
0.366
DAR-DIA-23e5a6a0-30
0.365
KAD-UNI-877d7bed-10
0.364
KAD-UNI-877d7bed-11
0.363
KAD-UNI-877d7bed-17
0.363
KAD-UNI-877d7bed-20
0.363
MAK-UNK-919546f0-1
0.363
MAK-UNK-f481d203-2
0.363
MAK-UNK-f481d203-1
0.363
KAD-UNI-877d7bed-7
0.362
DAR-DIA-23e5a6a0-22
0.361
KAD-UNI-877d7bed-8
0.361
DAR-DIA-23e5a6a0-24
0.359
ALP-POS-ce760d3f-1
0.359
KAD-UNI-877d7bed-16
0.359
KAD-UNI-877d7bed-19
0.358
MAT-POS-590ac91e-18
0.357
DAR-DIA-23e5a6a0-26
0.356
KAD-UNI-877d7bed-18
0.353
DAR-DIA-23e5a6a0-10
0.352
EDJ-MED-e9694d2b-1
0.351
ERI-UCB-9c7ec71b-2
0.351
ALP-UNI-3735e77e-2
0.350
RAL-THA-05e671eb-16
0.350
KAD-UNI-877d7bed-5
0.350
EDJ-MED-e4b030d8-5
0.350
DAR-DIA-6a508060-12
0.350
KAD-UNI-877d7bed-2
0.348
KAD-UNI-877d7bed-4
0.347
KAD-UNI-877d7bed-13
0.346
RAL-THA-901e9a10-8
0.345
DAR-DIA-23e5a6a0-29
0.345
WIL-MOD-03b86a88-1
0.345
TRY-UNI-2eddb1ff-7
0.345
TRY-UNI-2eddb1ff-8
0.345
RAL-THA-05e671eb-17
0.345
ALF-EVA-5b152d2f-2
0.345
LAU-MED-88a3970a-17
0.344