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
JAG-UCB-c61058a9-41
0.553
ROB-UNI-569bc02e-3
0.552
MAK-UNK-8be7dca9-6
0.548
NAU-LAT-b7d8c353-8
0.548
MAK-UNK-8be7dca9-8
0.548
RAL-THA-3d7a794f-4
0.548
BEN-DND-b89db3f2-2
0.548
NAU-LAT-b7d8c353-4
0.548
BEN-DND-a7517465-5
0.544
LON-WEI-0a73fcb8-7
0.540
MAK-UNK-f481d203-1
0.540
MAK-UNK-919546f0-1
0.540
MAK-UNK-f481d203-2
0.540
MAK-UNK-8be7dca9-9
0.538
MAT-POS-b3e365b9-4
0.535
BRU-CON-c4e3408a-1
0.535
JAN-GHE-f4ca5a00-13
0.535
DAR-DIA-6a508060-6
0.535
MAT-POS-b3e365b9-3
0.535
NAU-LAT-b7d8c353-7
0.535
RAL-THA-3d7a794f-3
0.534
BEN-DND-a7517465-1
0.533
RAL-THA-3d7a794f-1
0.529
JAG-UCB-c61058a9-22
0.529
PET-UNK-3e029fdc-1
0.529
BEN-DND-a7517465-2
0.527
BEN-DND-a7517465-3
0.527
MAK-UNK-919546f0-3
0.527
MAK-UNK-f481d203-6
0.527
MAK-UNK-f481d203-5
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
BEN-DND-4f474d93-3
0.522
MAT-POS-f7918075-1
0.522
VLA-UCB-1dbca3b4-15
0.522
ALP-POS-ce760d3f-2
0.522
ROB-UNI-569bc02e-6
0.522
MAT-POS-b3e365b9-1
0.522
BEN-DND-4f474d93-1
0.522
MAT-POS-b3e365b9-2
0.522
EDJ-MED-fb4b7746-2
0.522
JOH-UNI-1b27fa5e-6
0.517
RAL-THA-3d7a794f-2
0.517
ALP-POS-ce760d3f-7
0.516
ALP-POS-ce760d3f-3
0.516
BEN-DND-c852c98b-8
0.516
BEN-DND-4f474d93-2
0.516
ALP-POS-696356e4-1
0.516
EDG-MED-5d232de5-2
0.516
BEN-DND-c852c98b-4
0.516
BEN-DND-a7517465-10
0.516
EDG-MED-5d232de5-1
0.516
MAK-UNK-8be7dca9-7
0.516
NAU-LAT-8502cac5-10
0.512
RAL-THA-b74298ba-1
0.512
JAG-UCB-c61058a9-7
0.511
JOH-UNI-1b27fa5e-7
0.511
JAG-UCB-c61058a9-9
0.511
ALF-EVA-5b152d2f-8
0.510
JOH-UNI-16fcdf60-1
0.506
JAG-UCB-c61058a9-44
0.506
VLA-UCB-53bdeed6-3
0.506
EDJ-MED-fb4b7746-3
0.505
EDG-MED-0e5afe9d-2
0.505
ALF-EVA-5b152d2f-2
0.505
ADA-UCB-dc2b944c-8
0.505
BEN-DND-a7517465-11
0.505
ALF-EVA-ced740bd-1
0.505
JAG-UCB-c61058a9-21
0.500
NAU-LAT-8502cac5-11
0.500
BEN-DND-c852c98b-10
0.500
NAU-LAT-8502cac5-13
0.500
MAT-POS-968e8d9c-1
0.500
EDG-MED-fe7487f8-9
0.500
JAG-UCB-c61058a9-11
0.500
RAL-THA-b74298ba-3
0.500
BEN-DND-a7517465-7
0.500
VLA-UCB-53bdeed6-2
0.500
JAG-UCB-119787ef-1
0.500
WIL-UCB-7ba4ac3a-1
0.500
RAL-THA-b74298ba-2
0.500
JAG-UCB-a3ef7265-20
0.500
BEN-DND-a7517465-6
0.500
BEN-DND-a7517465-8
0.500
ALF-EVA-ced740bd-2
0.500
NAU-LAT-8502cac5-15
0.500
NAU-LAT-8502cac5-16
0.500
MAT-POS-f9802937-7
0.495
NAU-LAT-b7d8c353-2
0.495
BEN-DND-c852c98b-3
0.495
BEN-DND-c852c98b-5
0.495
NAU-LAT-8502cac5-14
0.495
BEN-DND-c852c98b-1
0.490
BEN-DND-c852c98b-7
0.490
ROB-UNI-569bc02e-4
0.490
MAT-POS-2bb0cf2b-2
0.490
EDJ-MED-fb4b7746-1
0.490