Molecular Properties | |
SMILES: | O=C(Nc1nccn1C1CC1)C1CCOc2ccccc21 |
MW: | 283.13 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 56.15 |
cLogP: | 2.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2335580213 |
EDJ-MED-0e996074-1
0.667
EDJ-MED-2c295496-1
0.667
NAU-LAT-8502cac5-11
0.653
ANT-OPE-3d7cb11b-4
0.610
ANT-OPE-66a89c65-2
0.597
ANT-OPE-66a89c65-1
0.571
NAU-LAT-8502cac5-1
0.537
ANT-OPE-06da2058-1
0.519
NAU-LAT-8502cac5-7
0.500
RAL-THA-05e671eb-1
0.494
ROB-UNI-afd54964-1
0.461
NAU-LAT-8502cac5-9
0.453
TAT-ENA-80bfd3e5-3
0.451
ANT-OPE-3d7cb11b-2
0.440
EDG-MED-fe7487f8-3
0.416
JAG-UCB-c61058a9-34
0.414
JAG-UCB-c61058a9-17
0.409
JAG-UCB-a3ef7265-20
0.409
BRU-THA-a358fbdd-3
0.409
JAG-UCB-119787ef-1
0.409
MAT-POS-968e8d9c-1
0.409
EDG-MED-a20b5824-1
0.409
RAL-THA-6ca1b233-3
0.409
RAL-THA-6ca1b233-2
0.400
RAL-THA-6ca1b233-1
0.400
ANT-OPE-3d7cb11b-3
0.396
EDG-MED-4b32601a-2
0.396
EDG-MED-fe7487f8-1
0.396
RAL-THA-6ca1b233-4
0.396
JAG-UCB-c61058a9-44
0.385
MAK-UNK-3875bbc8-3
0.385
ERI-UCB-9c7ec71b-4
0.385
JAG-UCB-c61058a9-35
0.383
BRU-THA-a358fbdd-5
0.382
NAU-LAT-8502cac5-5
0.382
BRU-THA-a358fbdd-7
0.379
JAG-UCB-c61058a9-37
0.378
EDG-MED-fe7487f8-8
0.370
JAG-UCB-c61058a9-21
0.363
NAU-LAT-8502cac5-16
0.363
EDG-MED-fe7487f8-9
0.363
RAL-THA-b74298ba-3
0.363
MIC-UNK-deda7a44-6
0.362
ROB-UNI-569bc02e-1
0.361
ADA-UCB-b1b30a00-7
0.361
RAL-THA-3d7a794f-1
0.359
PET-UNK-3e029fdc-1
0.359
ERI-UCB-a38d41be-1
0.358
RAL-THA-b74298ba-1
0.356
JOH-UNI-d0d90dc1-3
0.355
MAT-POS-162a9720-6
0.351
MAT-UCB-70f7c0f7-6
0.351
RAL-THA-04c5403f-2
0.351
NAU-LAT-8502cac5-15
0.348
MAR-TRE-92684b97-45
0.345
BEN-DND-02317c5c-3
0.344
MAT-POS-51833a24-1
0.344
NAU-LAT-8502cac5-4
0.341
NAU-LAT-64bf4c5d-1
0.340
ALP-POS-8b8a49e1-2
0.340
DAR-DIA-6a508060-7
0.340
MIC-UNK-deda7a44-7
0.340
MAK-UNK-942dcb71-10
0.337
MAT-POS-a3f7f96a-2
0.337
MAT-POS-500f4700-1
0.337
JAG-UCB-c61058a9-16
0.337
RAL-THA-b74298ba-2
0.337
JAG-UCB-c61058a9-2
0.337
CHE-UNK-3dacc16b-3
0.337
JAG-UCB-c61058a9-32
0.333
ROB-UNI-569bc02e-7
0.333
BAR-COM-df4db19c-1
0.330
JAG-UCB-c61058a9-40
0.330
ADA-UCB-b1b30a00-10
0.330
ALP-POS-beec22ab-1
0.330
EDJ-MED-51d3200d-1
0.330
RAL-THA-b74298ba-4
0.330
EDJ-MED-51d3200d-3
0.330
JAG-UCB-c61058a9-20
0.330
JAG-UCB-c61058a9-22
0.330
MAT-POS-b5c94171-1
0.330
PET-UNK-158bee2a-7
0.330
RAL-THA-9041a04d-7
0.327
MAT-POS-51833a24-4
0.327
RAL-THA-9041a04d-6
0.327
JOH-UNI-f51e3bbc-1
0.327
RAL-THA-05e671eb-15
0.327
EDJ-MED-ba7e64f2-2
0.327
VLA-UNK-0ffe3317-7
0.326
PET-UNK-158bee2a-5
0.326
RAL-THA-f8a0f917-2
0.326
ANT-OPE-7b52af4b-1
0.326
RAL-THA-9041a04d-1
0.324
DAR-DIA-6a508060-8
0.320
BEN-DND-02317c5c-4
0.320
MAT-POS-a2421bb6-4
0.320
MAT-POS-b3e365b9-4
0.319
DAR-DIA-6a508060-6
0.319
BRU-CON-c4e3408a-1
0.319
JAN-GHE-f4ca5a00-13
0.319