Molecular Properties | |
SMILES: | O=C(O)c1ccc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c2c1 |
MW: | 382.07 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 88.52 |
cLogP: | 4.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
EDG-MED-5d232de5-2
0.768
ALP-POS-696356e4-1
0.768
ALP-POS-ce760d3f-7
0.768
EDG-MED-5d232de5-1
0.768
MAK-UNK-8be7dca9-9
0.750
BEN-DND-c852c98b-4
0.747
EDJ-MED-ba7e64f2-1
0.747
MAT-POS-8293a91a-3
0.733
PET-UNK-ee8352fa-4
0.733
BEN-DND-c852c98b-3
0.733
ALF-EVA-5b152d2f-2
0.729
BEN-DND-c852c98b-7
0.724
MAK-UNK-8be7dca9-8
0.716
ERI-UCB-8d4e5055-4
0.713
MAT-POS-f9802937-7
0.713
ALP-POS-82da25a3-2
0.713
BEN-DND-c852c98b-5
0.713
BEN-DND-c852c98b-1
0.705
BEN-DND-c852c98b-2
0.700
ALF-EVA-5b152d2f-7
0.697
RAL-THA-b9d6aec1-3
0.697
VLA-UCB-1dbca3b4-15
0.694
MAT-POS-f7918075-1
0.694
MAT-POS-b3e365b9-2
0.694
MAT-POS-b3e365b9-1
0.694
BEN-DND-c852c98b-6
0.689
ALP-POS-ce760d3f-3
0.686
BEN-DND-4f474d93-2
0.686
RAL-THA-b9d6aec1-1
0.681
RAL-THA-b9d6aec1-2
0.681
MAK-UNK-8be7dca9-4
0.681
RUB-POS-1325a9ea-10
0.667
MAT-POS-419aafdb-2
0.667
WIL-UCB-7ba4ac3a-1
0.663
MAT-POS-419aafdb-1
0.660
ALP-POS-ce760d3f-2
0.655
BEN-DND-4f474d93-1
0.655
ALF-EVA-5b152d2f-3
0.655
BEN-DND-4f474d93-3
0.655
PET-UNK-b38839dc-5
0.652
PET-UNK-b38839dc-4
0.645
PET-UNK-ee8352fa-6
0.641
PET-UNK-ee8352fa-5
0.641
MAT-POS-8695a11f-2
0.636
ERI-UCB-8d4e5055-2
0.636
PET-UNK-f4e47ebd-3
0.634
PET-UNK-03fd2068-1
0.633
ALP-POS-82da25a3-1
0.620
PET-UNK-b1ef24dc-7
0.618
PET-UNK-b1ef24dc-8
0.618
MIC-UNK-7574fcc6-2
0.618
ALF-EVA-5b152d2f-8
0.617
PET-UNK-6314f867-1
0.613
MAT-POS-7ddaf7de-2
0.613
ERI-UCB-8d4e5055-3
0.613
MAK-UNK-8be7dca9-5
0.613
PET-UNK-b38839dc-3
0.611
ALF-EVA-5b152d2f-5
0.606
MAT-POS-14f31916-5
0.604
PET-UNK-7f7e354d-1
0.604
MAT-POS-86c60949-3
0.602
ERI-UCB-8d4e5055-5
0.602
PET-UNK-f4e47ebd-4
0.600
TET-ENA-382364b7-1
0.600
MAK-UNK-8be7dca9-2
0.600
ADA-UCB-dc2b944c-8
0.598
MAT-POS-d8472c4f-6
0.591
MAT-POS-14f31916-1
0.591
MAT-POS-afb6844f-1
0.591
MAT-POS-7ddaf7de-4
0.591
MAT-POS-acfe5bae-1
0.589
MAT-POS-ee5e8e94-2
0.589
MAT-POS-1ecf5680-1
0.588
MAT-POS-1ecf5680-2
0.588
JAG-UCB-571deb56-5
0.588
MAT-POS-8040981b-1
0.585
MAT-POS-14f31916-2
0.585
MAT-POS-acfe5bae-5
0.585
ROB-UNI-6ee2df8c-1
0.582
PET-UNK-b1ef24dc-5
0.582
MAT-POS-a2421bb6-1
0.582
JAG-UCB-571deb56-2
0.582
MAT-POS-ec6d90b7-7
0.581
ALF-EVA-5b152d2f-1
0.581
EDJ-MED-611d11e7-6
0.581
MAT-POS-96f51285-5
0.581
MAT-POS-a2421bb6-3
0.579
ALF-EVA-ced740bd-1
0.579
MAT-POS-afb6844f-2
0.578
PET-UNK-e274cad4-2
0.574
NAU-LAT-b7d8c353-8
0.573
MAK-UNK-8be7dca9-6
0.573
ALP-POS-b3e0acc5-2
0.571
JAG-UCB-571deb56-4
0.570
BEN-DND-a7517465-2
0.570
PET-UNK-b1ef24dc-6
0.570
PET-UNK-e274cad4-7
0.570
BEN-DND-a7517465-5
0.570
BEN-DND-a7517465-3
0.570
MAT-POS-14f31916-3
0.567