Molecular Properties | |
SMILES: | Cc1ccc2cncc(NC(=O)[C@@H]3CCOc4ccc(Cl)cc43)c2c1 |
MW: | 352.1 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-b3e365b9-1
ALP-POS-ce760d3f-7
0.778
EDG-MED-5d232de5-1
0.778
EDG-MED-5d232de5-2
0.778
ALP-POS-696356e4-1
0.778
EDJ-MED-ba7e64f2-1
0.756
BEN-DND-c852c98b-4
0.756
BEN-DND-c852c98b-3
0.741
ERI-UCB-8d4e5055-4
0.741
PET-UNK-ee8352fa-4
0.741
BEN-DND-c852c98b-5
0.741
MAT-POS-f9802937-7
0.741
MAK-UNK-8be7dca9-7
0.729
MAT-POS-8293a91a-3
0.721
ALP-POS-82da25a3-2
0.721
BEN-DND-c852c98b-1
0.713
BEN-DND-c852c98b-7
0.713
RAL-THA-b9d6aec1-2
0.708
BEN-DND-c852c98b-2
0.708
RAL-THA-b9d6aec1-1
0.708
RAL-THA-b9d6aec1-3
0.705
MAK-UNK-8be7dca9-8
0.705
ALF-EVA-5b152d2f-7
0.705
VLA-UCB-1dbca3b4-15
0.702
MAT-POS-b3e365b9-1
0.702
MAT-POS-f7918075-1
0.702
MAT-POS-b3e365b9-2
0.702
BEN-DND-c852c98b-6
0.697
BEN-DND-4f474d93-2
0.694
ALP-POS-ce760d3f-3
0.694
PET-UNK-ee8352fa-5
0.685
MAT-POS-419aafdb-1
0.685
BEN-DND-4f474d93-1
0.682
BEN-DND-4f474d93-3
0.682
ALP-POS-ce760d3f-2
0.682
PET-UNK-f4e47ebd-3
0.678
RUB-POS-1325a9ea-10
0.674
MAT-POS-419aafdb-2
0.674
WIL-UCB-7ba4ac3a-1
0.670
PET-UNK-b38839dc-4
0.670
PET-UNK-ee8352fa-6
0.667
ALF-EVA-5b152d2f-3
0.663
PET-UNK-b38839dc-5
0.659
PET-UNK-03fd2068-1
0.659
MAK-UNK-8be7dca9-4
0.653
MIC-UNK-7574fcc6-2
0.644
PET-UNK-f4e47ebd-4
0.641
ALF-EVA-5b152d2f-8
0.641
MAK-UNK-8be7dca9-9
0.640
ERI-UCB-8d4e5055-3
0.637
MAT-POS-7ddaf7de-2
0.637
MAT-POS-d8472c4f-6
0.633
MAT-POS-14f31916-1
0.633
PET-UNK-7f7e354d-1
0.629
ALP-POS-82da25a3-1
0.626
MAT-POS-8695a11f-2
0.626
ERI-UCB-8d4e5055-2
0.626
PET-UNK-b1ef24dc-7
0.625
PET-UNK-b1ef24dc-8
0.625
TET-ENA-382364b7-1
0.624
MAK-UNK-8be7dca9-2
0.624
MAK-UNK-8be7dca9-5
0.620
PET-UNK-6314f867-1
0.620
PET-UNK-b38839dc-3
0.618
MAT-POS-afb6844f-1
0.616
MAT-POS-7ddaf7de-4
0.616
ALF-EVA-5b152d2f-5
0.613
MAT-POS-ee5e8e94-2
0.613
MAT-POS-acfe5bae-1
0.613
MAT-POS-14f31916-5
0.611
MAT-POS-1ecf5680-1
0.611
JAG-UCB-571deb56-5
0.611
MAT-POS-acfe5bae-5
0.609
MAT-POS-14f31916-2
0.609
MAT-POS-86c60949-3
0.608
ERI-UCB-8d4e5055-5
0.608
MAT-POS-14f31916-3
0.606
TET-ENA-1a76f195-1
0.606
MAT-POS-b3e365b9-3
0.605
MAT-POS-b3e365b9-4
0.605
DAR-DIA-6a508060-6
0.605
JAN-GHE-f4ca5a00-13
0.605
BRU-CON-c4e3408a-1
0.605
ADA-UCB-dc2b944c-8
0.604
JAG-UCB-571deb56-2
0.604
MAT-POS-afb6844f-2
0.602
ALF-EVA-ced740bd-1
0.602
ADA-UCB-dc2b944c-5
0.600
RAL-THA-05e671eb-5
0.600
BEN-DND-a7517465-1
0.598
JAG-UCB-571deb56-1
0.596
MAT-POS-1ecf5680-2
0.594
PET-UNK-b1ef24dc-6
0.593
BEN-DND-a7517465-5
0.593
PET-UNK-e274cad4-7
0.593
JAG-UCB-571deb56-4
0.592
MAT-POS-8040981b-1
0.591
MAT-POS-ee5e8e94-1
0.589
MAT-POS-afb6844f-3
0.589
PET-UNK-b1ef24dc-5
0.589
ROB-UNI-6ee2df8c-1
0.589