Molecular Properties | |
SMILES: | CCn1cncc1NC(=O)C1CCOc2ccc(Cl)cc21 |
MW: | 305.09 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 56.15 |
cLogP: | 3.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
RAL-THA-3d7a794f-4
0.701
RAL-THA-3d7a794f-2
0.659
RAL-THA-3d7a794f-1
0.654
PET-UNK-3e029fdc-1
0.654
RAL-THA-b74298ba-2
0.619
RAL-THA-9041a04d-6
0.616
RAL-THA-04c5403f-1
0.616
RAL-THA-9041a04d-5
0.616
RAL-THA-9041a04d-3
0.609
MAT-POS-a54ce14d-1
0.602
RAL-THA-9041a04d-4
0.602
RAL-THA-9041a04d-2
0.589
RAL-THA-9041a04d-7
0.589
RAL-THA-9041a04d-1
0.582
JAG-UCB-c61058a9-22
0.576
PET-UNK-158bee2a-7
0.566
EDJ-MED-51d3200d-4
0.563
NAU-LAT-8502cac5-10
0.560
RAL-THA-b74298ba-1
0.560
PET-UNK-e274cad4-7
0.556
MAT-POS-51833a24-3
0.556
MAT-POS-51833a24-4
0.554
LON-WEI-0a73fcb8-7
0.552
BEN-DND-02317c5c-3
0.551
MAT-POS-51833a24-1
0.551
MAT-POS-afb6844f-3
0.551
EDJ-MED-51d3200d-3
0.551
MAT-POS-51833a24-5
0.549
MAT-POS-b3e365b9-3
0.547
MAT-POS-b3e365b9-4
0.547
DAR-DIA-6a508060-6
0.547
JAN-GHE-f4ca5a00-13
0.547
RAL-THA-b74298ba-3
0.547
EDG-MED-fe7487f8-9
0.547
JAG-UCB-c61058a9-41
0.547
BRU-CON-c4e3408a-1
0.547
MAT-POS-afb6844f-2
0.545
MAT-POS-51833a24-2
0.543
EDJ-MED-51d3200d-2
0.543
BEN-DND-a7517465-6
0.543
MAT-POS-7ddaf7de-4
0.540
MAT-POS-afb6844f-1
0.540
NAU-LAT-8502cac5-14
0.538
MAT-POS-a3f7f96a-2
0.535
MAK-UNK-919546f0-1
0.534
MAK-UNK-f481d203-2
0.534
EDJ-MED-e9694d2b-1
0.534
JAN-GHE-f4ca5a00-21
0.534
ERI-UCB-9c7ec71b-2
0.534
MAK-UNK-f481d203-1
0.534
NAU-LAT-b7d8c353-1
0.534
MAT-POS-afb6844f-4
0.533
RAL-THA-b74298ba-4
0.533
EDJ-MED-fb4b7746-1
0.532
MAT-POS-2bb0cf2b-2
0.532
JAG-UCB-119787ef-1
0.529
JAG-UCB-a3ef7265-20
0.529
MAT-POS-968e8d9c-1
0.529
NAU-LAT-8502cac5-15
0.529
JAG-UCB-c61058a9-21
0.529
NAU-LAT-8502cac5-16
0.529
MAT-POS-d8472c4f-6
0.527
MAT-POS-14f31916-1
0.527
PET-UNK-e274cad4-2
0.527
EDJ-MED-51d3200d-1
0.527
MAT-POS-51833a24-6
0.526
MAT-POS-8293a91a-1
0.523
MAT-POS-b5c94171-1
0.523
TAT-ENA-0e28ea53-1
0.523
MAT-POS-a2421bb6-4
0.522
ALP-POS-b3e0acc5-2
0.522
MAT-POS-afb6844f-5
0.522
MAT-POS-14f31916-5
0.522
MIC-UNK-b904ca85-2
0.522
MAT-POS-14f31916-2
0.521
MAT-POS-acfe5bae-5
0.521
MAT-POS-8040981b-1
0.521
NAU-LAT-b7d8c353-6
0.521
MAT-POS-ee5e8e94-1
0.521
JAG-UCB-c61058a9-6
0.517
EDG-MED-fe7487f8-8
0.517
JAG-UCB-c61058a9-44
0.517
ERI-UCB-9c7ec71b-4
0.517
JOH-UNI-d0d90dc1-3
0.517
MAT-POS-1f3c8e6f-1
0.517
BEN-DND-4f474d93-1
0.516
ERI-UCB-a38d41be-1
0.516
ALP-POS-ce760d3f-2
0.516
BEN-DND-4f474d93-3
0.516
PET-UNK-b1ef24dc-8
0.516
MIC-UNK-7574fcc6-2
0.516
PET-UNK-b1ef24dc-5
0.516
JAG-UCB-c61058a9-32
0.516
ALF-EVA-5b152d2f-2
0.516
MAT-POS-a2421bb6-3
0.516
MAT-POS-af1eef35-1
0.515
EDJ-MED-e18764cb-1
0.515
NAU-LAT-b7d8c353-7
0.511
NAU-LAT-8502cac5-11
0.511
MAT-POS-500f4700-1
0.511