Molecular Properties | |
SMILES: | Nc1cncc(NC(=O)C2CCOc3ccc(Cl)cc32)c1C1CCC1 |
MW: | 357.12 |
Fraction sp3: | 0.37 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 77.24 |
cLogP: | 4.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
MAT-POS-afb6844f-4
0.919
MAT-POS-7ddaf7de-4
0.683
ALF-EVA-5b152d2f-7
0.602
ERI-UCB-9c7ec71b-2
0.598
EDJ-MED-e9694d2b-1
0.598
JAG-UCB-c61058a9-11
0.591
MAT-POS-afb6844f-1
0.586
ALF-EVA-5b152d2f-5
0.585
LON-WEI-0a73fcb8-7
0.580
MAT-POS-afb6844f-3
0.578
PET-UNK-b1ef24dc-7
0.578
PET-UNK-b1ef24dc-5
0.578
MIC-UNK-7574fcc6-2
0.578
MAT-POS-a2421bb6-1
0.578
DAR-DIA-6a508060-6
0.575
MAT-POS-b3e365b9-4
0.575
JAN-GHE-f4ca5a00-13
0.575
BRU-CON-c4e3408a-1
0.575
MAT-POS-b3e365b9-3
0.575
MAT-POS-afb6844f-2
0.573
BEN-DND-a7517465-1
0.570
JAG-UCB-c61058a9-9
0.568
ALP-POS-b3e0acc5-2
0.567
MAK-UNK-f481d203-1
0.562
MAK-UNK-f481d203-2
0.562
MAK-UNK-919546f0-1
0.562
MAT-POS-1f3c8e6f-1
0.562
VLA-UCB-1dbca3b4-15
0.560
BEN-DND-4f474d93-3
0.560
ALP-POS-ce760d3f-2
0.560
MAT-POS-f7918075-1
0.560
MAT-POS-b3e365b9-1
0.560
BEN-DND-4f474d93-1
0.560
PET-UNK-b1ef24dc-8
0.560
MAT-POS-b3e365b9-2
0.560
EDJ-MED-fb4b7746-3
0.559
EDG-MED-0e5afe9d-2
0.559
EDJ-MED-51d3200d-4
0.556
ALP-POS-ce760d3f-3
0.554
BEN-DND-c852c98b-4
0.554
EDJ-MED-ba7e64f2-1
0.554
ALP-POS-ce760d3f-7
0.554
PET-UNK-b38839dc-3
0.554
EDG-MED-5d232de5-2
0.554
ALP-POS-696356e4-1
0.554
BEN-DND-a7517465-10
0.554
BEN-DND-4f474d93-2
0.554
BEN-DND-c852c98b-8
0.554
EDG-MED-5d232de5-1
0.554
MAT-POS-a2421bb6-2
0.553
RAL-THA-3d7a794f-4
0.552
JAG-UCB-c61058a9-7
0.551
BEN-DND-a7517465-2
0.548
BEN-DND-a7517465-5
0.548
BEN-DND-a7517465-3
0.548
MAT-POS-14f31916-5
0.548
PET-UNK-e274cad4-7
0.548
PET-UNK-7f7e354d-1
0.548
PET-UNK-b1ef24dc-6
0.548
MIC-UNK-b904ca85-2
0.548
MAT-POS-acfe5bae-5
0.547
MAT-POS-14f31916-4
0.547
MAT-POS-f9802937-7
0.547
MAT-POS-14f31916-2
0.547
ALP-POS-82da25a3-1
0.547
PET-UNK-b38839dc-5
0.546
VLA-UCB-53bdeed6-3
0.544
EDJ-MED-51d3200d-3
0.543
ADA-UCB-dc2b944c-8
0.543
MAK-UNK-8be7dca9-9
0.543
PET-UNK-03fd2068-1
0.543
EDJ-MED-fb4b7746-2
0.543
ALF-EVA-5b152d2f-2
0.543
MAK-UNK-8be7dca9-5
0.542
PET-UNK-6314f867-1
0.542
RUB-POS-1325a9ea-10
0.542
MAT-POS-a2421bb6-3
0.542
BEN-DND-a7517465-8
0.537
MAK-UNK-8be7dca9-7
0.537
MAT-POS-d8472c4f-6
0.537
MAT-POS-14f31916-1
0.537
PET-UNK-e274cad4-2
0.537
WIL-UCB-7ba4ac3a-1
0.537
EDJ-MED-51d3200d-1
0.537
BEN-DND-c852c98b-10
0.537
NAU-LAT-b7d8c353-8
0.536
RAL-THA-b9d6aec1-3
0.536
MAK-UNK-8be7dca9-6
0.536
MIC-UNK-b904ca85-1
0.536
PET-UNK-ee8352fa-6
0.536
TAT-ENA-0e28ea53-1
0.533
JOH-UNI-1b27fa5e-7
0.533
MAT-POS-8293a91a-1
0.533
ERI-UCB-8d4e5055-4
0.531
BEN-DND-c852c98b-5
0.531
NAU-LAT-b7d8c353-2
0.531
MAT-POS-8040981b-1
0.531
ALP-POS-82da25a3-2
0.531
MAT-POS-8293a91a-3
0.531
BEN-DND-c852c98b-3
0.531