Molecular Properties | |
SMILES: | O=C(Nc1nn[nH]c1C1CC1)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 318.09 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 79.9 |
cLogP: | 2.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-05e51b3f-20
VLA-UCB-05e51b3f-16
VLA-UCB-05e51b3f-15
VLA-UCB-05e51b3f-13
VLA-UCB-05e51b3f-10
VLA-UCB-05e51b3f-9
VLA-UCB-05e51b3f-8
VLA-UCB-05e51b3f-7
VLA-UCB-05e51b3f-6
VLA-UCB-05e51b3f-5
VLA-UCB-05e51b3f-4
VLA-UCB-05e51b3f-3
VLA-UCB-05e51b3f-14
VLA-UCB-05e51b3f-19
VLA-UCB-05e51b3f-18
VLA-UCB-05e51b3f-17
VLA-UCB-05e51b3f-11
VLA-UCB-05e51b3f-2
VLA-UCB-05e51b3f-12
VLA-UCB-05e51b3f-1
VLA-UCB-05e51b3f-19
0.624
VLA-UCB-50c39ae8-12
0.624
VLA-UCB-53bdeed6-3
0.610
JOH-UNI-16fcdf60-1
0.573
JAG-UCB-c61058a9-6
0.573
NAU-LAT-8502cac5-12
0.571
LON-WEI-0a73fcb8-6
0.571
JAG-UCB-52b62a6f-17
0.563
JAG-UCB-c61058a9-7
0.560
ADA-UCB-b1b30a00-6
0.557
JAG-UCB-52b62a6f-15
0.556
JAG-UCB-52b62a6f-16
0.551
MAT-POS-500f4700-1
0.547
JAG-UCB-c61058a9-2
0.547
ROB-UNI-569bc02e-3
0.547
JAG-UCB-52b62a6f-18
0.544
RAL-THA-b74298ba-1
0.542
JAG-UCB-c61058a9-9
0.541
JAG-UCB-52b62a6f-6
0.540
EDJ-MED-e9694d2b-1
0.535
ERI-UCB-9c7ec71b-2
0.535
MAT-POS-afb6844f-4
0.534
ROB-UNI-569bc02e-6
0.534
JOH-UNI-1b27fa5e-2
0.533
JOH-UNI-1b27fa5e-3
0.533
JAG-UCB-52b62a6f-14
0.533
PET-UNK-158bee2a-7
0.530
JAG-UCB-a3ef7265-20
0.529
JAG-UCB-119787ef-1
0.529
MAT-POS-968e8d9c-1
0.529
RAL-THA-b74298ba-3
0.529
EDG-MED-fe7487f8-9
0.529
JAG-UCB-c61058a9-21
0.529
JAG-UCB-c61058a9-41
0.529
RAL-THA-3d7a794f-2
0.529
JAG-UCB-c61058a9-11
0.529
NAU-LAT-8502cac5-13
0.528
ROB-UNI-569bc02e-5
0.528
NAU-LAT-b7d8c353-4
0.524
BEN-DND-b89db3f2-2
0.524
RAL-THA-3d7a794f-4
0.524
NAU-LAT-8502cac5-10
0.524
TAT-ENA-0e28ea53-1
0.523
JAG-UCB-52b62a6f-7
0.522
MAT-POS-a3f7f96a-2
0.518
EDG-MED-fe7487f8-8
0.517
JAN-GHE-f4ca5a00-22
0.517
JAG-UCB-c61058a9-44
0.517
ERI-UCB-9c7ec71b-4
0.517
JOH-UNI-d0d90dc1-3
0.517
JAG-UCB-52b62a6f-10
0.516
MIC-UNK-42806bd5-4
0.512
MAT-POS-b3e365b9-3
0.512
MAT-POS-b3e365b9-4
0.512
JAN-GHE-f4ca5a00-13
0.512
DAR-DIA-6a508060-6
0.512
NAU-LAT-8502cac5-11
0.512
NAU-LAT-8502cac5-15
0.512
NAU-LAT-8502cac5-16
0.512
BRU-CON-c4e3408a-1
0.512
RAL-THA-b74298ba-2
0.511
JAG-UCB-52b62a6f-9
0.511
BEN-DND-c852c98b-8
0.511
BEN-DND-a7517465-10
0.511
PET-UNK-3e029fdc-1
0.506
JOH-UNI-1b27fa5e-7
0.506
MAT-POS-b5c94171-1
0.506
MAT-POS-7ddaf7de-4
0.506
RAL-THA-3d7a794f-1
0.506
JAG-UCB-c61058a9-22
0.506
MAT-POS-8293a91a-1
0.506
MAT-POS-afb6844f-1
0.506
MIC-UNK-deda7a44-6
0.506
VLA-UNK-0ffe3317-1
0.506
MAT-UCB-70f7c0f7-6
0.505
RAL-THA-04c5403f-2
0.505
JAG-UCB-52b62a6f-4
0.505
JAG-UCB-52b62a6f-5
0.505
MAT-POS-afb6844f-5
0.505
PET-UNK-b1ef24dc-5
0.500
PET-UNK-158bee2a-5
0.500
MIC-UNK-7574fcc6-2
0.500
RAL-THA-b74298ba-4
0.500
ROB-UNI-569bc02e-4
0.500
VLA-UCB-50c39ae8-13
0.500
JAG-UCB-52b62a6f-13
0.500
NAU-LAT-b7d8c353-1
0.500
VLA-UNK-0ffe3317-7
0.500
VLA-UCB-05e51b3f-20
0.500
MAK-UNK-919546f0-1
0.500
MAK-UNK-f481d203-1
0.500
MAK-UNK-f481d203-2
0.500
ROB-UNI-569bc02e-7
0.500
LON-WEI-0a73fcb8-7
0.500
JOH-SUS-a69c159d-3
0.500
ERI-UCB-a38d41be-1
0.500
EDJ-MED-fb4b7746-3
0.500
MIC-UNK-fc94cdb5-2
0.500
EDG-MED-0e5afe9d-2
0.500
PET-UNK-b1ef24dc-7
0.500