Molecular Properties | |
SMILES: | NCc1cncc(NC(=O)C2CCOc3ccc(Cl)cc32)c1 |
MW: | 317.09 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 77.24 |
cLogP: | 2.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
MAK-UNK-8be7dca9-5
0.589
MAT-POS-7ddaf7de-4
0.565
MAT-POS-a2421bb6-3
0.554
PET-UNK-158bee2a-7
0.554
JAG-UCB-c61058a9-41
0.553
ROB-UNI-569bc02e-3
0.552
MAK-UNK-8be7dca9-8
0.548
NAU-LAT-b7d8c353-8
0.548
MAK-UNK-8be7dca9-6
0.548
NAU-LAT-b7d8c353-4
0.548
BEN-DND-b89db3f2-2
0.548
RAL-THA-3d7a794f-4
0.548
MAT-POS-afb6844f-1
0.547
BEN-DND-a7517465-5
0.544
ALP-POS-82da25a3-2
0.543
MAK-UNK-919546f0-1
0.540
MAK-UNK-f481d203-1
0.540
MAK-UNK-f481d203-2
0.540
LON-WEI-0a73fcb8-7
0.540
MAT-POS-1f3c8e6f-1
0.540
MAT-POS-a2421bb6-1
0.539
MAT-POS-afb6844f-3
0.539
MAT-POS-afb6844f-4
0.539
MIC-UNK-7574fcc6-2
0.539
MAK-UNK-8be7dca9-9
0.538
MAT-POS-b3e365b9-3
0.535
NAU-LAT-b7d8c353-7
0.535
DAR-DIA-6a508060-6
0.535
MAT-POS-b3e365b9-4
0.535
BRU-CON-c4e3408a-1
0.535
JAN-GHE-f4ca5a00-13
0.535
MAT-POS-afb6844f-2
0.534
RAL-THA-3d7a794f-3
0.534
BEN-DND-a7517465-1
0.533
RAL-THA-3d7a794f-1
0.529
JAG-UCB-c61058a9-22
0.529
TAT-ENA-0e28ea53-1
0.529
PET-UNK-3e029fdc-1
0.529
ALP-POS-b3e0acc5-2
0.528
PET-UNK-7f7e354d-1
0.527
MAT-POS-afb6844f-5
0.527
BEN-DND-a7517465-2
0.527
BEN-DND-a7517465-3
0.527
MAK-UNK-f481d203-6
0.527
ALP-POS-82da25a3-1
0.527
MAK-UNK-919546f0-3
0.527
MAK-UNK-f481d203-5
0.527
MAT-POS-14f31916-4
0.527
MAK-UNK-8be7dca9-2
0.526
JAG-UCB-c61058a9-6
0.523
ERI-UCB-9c7ec71b-2
0.523
EDJ-MED-e9694d2b-1
0.523
ROB-UNI-569bc02e-6
0.522
MAT-POS-b3e365b9-1
0.522
MAT-POS-b3e365b9-2
0.522
EDJ-MED-51d3200d-3
0.522
PET-UNK-b1ef24dc-7
0.522
BEN-DND-4f474d93-1
0.522
ALP-POS-ce760d3f-2
0.522
VLA-UCB-1dbca3b4-15
0.522
PET-UNK-b1ef24dc-8
0.522
MAT-POS-f7918075-1
0.522
PET-UNK-b1ef24dc-5
0.522
BEN-DND-4f474d93-3
0.522
EDJ-MED-fb4b7746-2
0.522
JOH-UNI-1b27fa5e-6
0.517
RAL-THA-3d7a794f-2
0.517
EDJ-MED-51d3200d-4
0.517
PET-UNK-b38839dc-3
0.516
RAL-THA-04c5403f-1
0.516
EDG-MED-5d232de5-1
0.516
ALP-POS-ce760d3f-3
0.516
EDG-MED-5d232de5-2
0.516
BEN-DND-4f474d93-2
0.516
BEN-DND-c852c98b-8
0.516
ALP-POS-696356e4-1
0.516
ALP-POS-ce760d3f-7
0.516
EDJ-MED-ba7e64f2-1
0.516
BEN-DND-a7517465-10
0.516
BEN-DND-c852c98b-4
0.516
MAK-UNK-8be7dca9-7
0.516
PET-UNK-e274cad4-2
0.516
PET-UNK-ee8352fa-5
0.516
RAL-THA-b9d6aec1-3
0.516
NAU-LAT-8502cac5-10
0.512
RAL-THA-b74298ba-1
0.512
JOH-UNI-1b27fa5e-7
0.511
MAT-POS-8293a91a-1
0.511
MAT-POS-b5c94171-1
0.511
JAG-UCB-c61058a9-7
0.511
JAG-UCB-c61058a9-9
0.511
MIC-UNK-b904ca85-2
0.511
PET-UNK-e274cad4-7
0.511
PET-UNK-b1ef24dc-6
0.511
MAT-POS-14f31916-5
0.511
MAT-POS-8040981b-1
0.511
MAT-POS-acfe5bae-5
0.511
MAT-POS-14f31916-2
0.511
ALF-EVA-5b152d2f-8
0.510
MAT-POS-ee5e8e94-1
0.510