Molecular Properties | |
SMILES: | CN(C)c1cc2c(NC(=O)[C@@H]3CCOc4ccc(Cl)cc43)cncc2cc1F |
MW: | 399.11 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 54.46 |
cLogP: | 4.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-b38839dc-4
0.733
ALP-POS-ce760d3f-7
0.701
EDG-MED-5d232de5-2
0.701
ALP-POS-696356e4-1
0.701
EDG-MED-5d232de5-1
0.701
PET-UNK-ee8352fa-6
0.692
PET-UNK-ee8352fa-4
0.689
ALF-EVA-5b152d2f-2
0.685
PET-UNK-03fd2068-1
0.685
RUB-POS-1325a9ea-10
0.681
WIL-UCB-7ba4ac3a-1
0.678
PET-UNK-b38839dc-5
0.667
EDJ-MED-ba7e64f2-1
0.663
BEN-DND-c852c98b-4
0.663
MAT-POS-f9802937-7
0.652
ALP-POS-82da25a3-2
0.652
BEN-DND-c852c98b-3
0.652
BEN-DND-c852c98b-5
0.652
MAT-POS-8293a91a-3
0.652
ERI-UCB-8d4e5055-4
0.652
MAK-UNK-8be7dca9-9
0.648
ERI-UCB-8d4e5055-3
0.645
BEN-DND-c852c98b-7
0.645
MAT-POS-7ddaf7de-2
0.645
RAL-THA-b9d6aec1-1
0.642
MAK-UNK-8be7dca9-7
0.641
MAK-UNK-8be7dca9-8
0.638
PET-UNK-7bb24635-5
0.635
ALP-POS-82da25a3-1
0.634
VLA-UCB-1dbca3b4-15
0.633
MIC-UNK-7574fcc6-2
0.633
MAT-POS-f7918075-1
0.633
MAT-POS-b3e365b9-1
0.633
MAT-POS-b3e365b9-2
0.633
BEN-DND-4f474d93-1
0.633
BEN-DND-4f474d93-3
0.633
ALP-POS-ce760d3f-2
0.633
ALF-EVA-5b152d2f-8
0.632
TET-ENA-382364b7-1
0.632
BEN-DND-c852c98b-6
0.632
PET-UNK-f4e47ebd-4
0.632
PET-UNK-f4e47ebd-3
0.632
MAT-POS-afb6844f-2
0.629
BEN-DND-c852c98b-1
0.628
MAK-UNK-8be7dca9-5
0.628
PET-UNK-6314f867-1
0.628
BEN-DND-4f474d93-2
0.626
ALP-POS-ce760d3f-3
0.626
BEN-DND-c852c98b-2
0.625
RAL-THA-b9d6aec1-2
0.625
ALF-EVA-5b152d2f-7
0.621
RAL-THA-b9d6aec1-3
0.621
ALF-EVA-5b152d2f-5
0.621
MAT-POS-1ecf5680-1
0.619
JAG-UCB-571deb56-5
0.619
MAK-UNK-8be7dca9-2
0.615
JAG-UCB-571deb56-2
0.612
PET-UNK-b38839dc-3
0.609
MAT-POS-419aafdb-1
0.606
MAT-POS-1ecf5680-2
0.602
JAG-UCB-571deb56-4
0.600
PET-UNK-b1ef24dc-7
0.598
PET-UNK-b1ef24dc-8
0.598
MAT-POS-419aafdb-2
0.596
ALF-EVA-ced740bd-1
0.594
MAT-POS-d8472c4f-6
0.589
BEN-DND-a7517465-1
0.589
MAT-POS-14f31916-1
0.589
JAG-UCB-571deb56-1
0.588
MAT-POS-ee5e8e94-2
0.588
MAT-POS-acfe5bae-1
0.588
BEN-DND-a7517465-5
0.585
PET-UNK-7f7e354d-1
0.585
MAT-POS-14f31916-5
0.585
JAG-UCB-571deb56-6
0.583
PET-UNK-7279c968-9
0.582
MAT-POS-ee5e8e94-1
0.582
ALF-EVA-5b152d2f-3
0.581
ADA-UCB-dc2b944c-8
0.579
MAK-UNK-8be7dca9-4
0.578
MAT-POS-a2421bb6-3
0.577
PET-UNK-e274cad4-2
0.573
MAT-POS-7ddaf7de-4
0.571
MAT-POS-afb6844f-1
0.571
MAT-POS-8695a11f-2
0.571
ERI-UCB-8d4e5055-2
0.571
MIC-UNK-b904ca85-2
0.568
PET-UNK-e274cad4-7
0.568
MAT-POS-14f31916-2
0.567
MAT-POS-acfe5bae-5
0.567
MAT-POS-8040981b-1
0.567
TET-ENA-1a76f195-1
0.566
MAT-POS-14f31916-3
0.566
PET-UNK-b1ef24dc-5
0.564
MAT-POS-a2421bb6-1
0.564
MAT-POS-7ddaf7de-1
0.561
JAG-UCB-571deb56-3
0.561
MAT-POS-b3e365b9-3
0.560
MAT-POS-b3e365b9-4
0.560
DAR-DIA-6a508060-6
0.560