Molecular Properties | |
SMILES: | O=C(Nc1nccn1C1CC1)C1CCOc2ccc(Cl)cc21 |
MW: | 317.09 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 56.15 |
cLogP: | 3.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2335582363 |
AAR-POS-d2a4d1df-1
JAG-UCB-a3ef7265-20
0.667
JAG-UCB-119787ef-1
0.667
MAT-POS-968e8d9c-1
0.667
ANT-OPE-3d7cb11b-1
0.653
JAG-UCB-c61058a9-44
0.630
ERI-UCB-9c7ec71b-4
0.630
EDG-MED-fe7487f8-8
0.610
NAU-LAT-8502cac5-16
0.605
JAG-UCB-c61058a9-21
0.605
RAL-THA-b74298ba-3
0.605
EDG-MED-fe7487f8-9
0.605
RAL-THA-b74298ba-1
0.600
PET-UNK-3e029fdc-1
0.598
RAL-THA-3d7a794f-1
0.598
MIC-UNK-deda7a44-6
0.595
JOH-UNI-d0d90dc1-3
0.590
ERI-UCB-a38d41be-1
0.588
ROB-UNI-569bc02e-1
0.586
ADA-UCB-b1b30a00-7
0.586
NAU-LAT-8502cac5-15
0.585
MAT-POS-a3f7f96a-2
0.573
RAL-THA-b74298ba-2
0.565
JAG-UCB-c61058a9-2
0.565
MAT-POS-500f4700-1
0.565
MIC-UNK-deda7a44-7
0.563
MAT-POS-b5c94171-1
0.560
JAG-UCB-c61058a9-22
0.560
RAL-THA-b74298ba-4
0.552
JAG-UCB-c61058a9-32
0.551
ROB-UNI-569bc02e-7
0.551
PET-UNK-158bee2a-7
0.549
DAR-DIA-6a508060-6
0.548
BRU-CON-c4e3408a-1
0.548
JAN-GHE-f4ca5a00-13
0.548
MAT-POS-b3e365b9-4
0.548
MAT-POS-b3e365b9-3
0.548
EDJ-MED-51d3200d-1
0.544
NAU-LAT-8502cac5-10
0.542
RAL-THA-3d7a794f-4
0.542
TAT-ENA-0e28ea53-1
0.541
MAT-POS-8293a91a-1
0.541
MAT-POS-afb6844f-1
0.541
MAT-POS-a2421bb6-4
0.540
RAL-THA-04c5403f-2
0.539
MAT-UCB-70f7c0f7-6
0.539
RAL-THA-9041a04d-7
0.538
MAT-POS-1f3c8e6f-1
0.535
LON-WEI-0a73fcb8-7
0.535
EDJ-MED-51d3200d-3
0.534
BEN-DND-02317c5c-3
0.534
MAT-POS-51833a24-1
0.534
JAG-UCB-c61058a9-41
0.529
NAU-LAT-b7d8c353-7
0.529
RAL-THA-3d7a794f-2
0.529
BEN-DND-4f474d93-2
0.528
RAL-THA-9041a04d-6
0.528
ALP-POS-ce760d3f-3
0.528
BEN-DND-b89db3f2-2
0.524
NAU-LAT-b7d8c353-4
0.524
JOH-UNI-1b27fa5e-7
0.523
MAT-POS-51833a24-4
0.522
JAG-UCB-52b62a6f-11
0.522
JOH-UNI-16fcdf60-1
0.518
JAG-UCB-c61058a9-6
0.518
LON-WEI-0a73fcb8-6
0.517
EDJ-MED-e9694d2b-1
0.517
ERI-UCB-9c7ec71b-2
0.517
VLA-UCB-53bdeed6-3
0.517
MAK-UNK-f481d203-1
0.517
MAK-UNK-919546f0-1
0.517
MAK-UNK-f481d203-2
0.517
BEN-DND-4f474d93-1
0.517
BEN-DND-4f474d93-3
0.517
ALP-POS-ce760d3f-2
0.517
MAT-POS-51833a24-5
0.516
JAG-UCB-52b62a6f-2
0.516
MIC-UNK-42806bd5-4
0.512
VLA-UCB-53bdeed6-2
0.512
JOH-UNI-1b27fa5e-6
0.511
ROB-UNI-569bc02e-3
0.511
RAL-THA-3d7a794f-3
0.511
EDJ-MED-51d3200d-4
0.511
JOH-UNI-f51e3bbc-1
0.511
EDJ-MED-ba7e64f2-1
0.511
RAL-THA-9041a04d-5
0.511
BEN-DND-c852c98b-4
0.511
EDJ-MED-ba7e64f2-2
0.511
MAT-POS-d8472c4f-6
0.511
MAT-POS-14f31916-1
0.511
JAG-UCB-c61058a9-7
0.506
JAG-UCB-c61058a9-9
0.506
MAT-POS-7ddaf7de-4
0.506
NAU-LAT-8502cac5-14
0.505
MAT-POS-51833a24-3
0.505
RAL-THA-9041a04d-3
0.505
MAT-POS-14f31916-5
0.505
PET-UNK-e274cad4-7
0.505
JAG-UCB-52b62a6f-4
0.505
JAG-UCB-52b62a6f-7
0.505
RAL-THA-9041a04d-2
0.505