Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccc(CO)cc12)C1CCOc2ccc(Cl)cc21 |
MW: | 368.09 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 71.45 |
cLogP: | 3.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-8be7dca9-8
0.810
ALP-POS-82da25a3-1
0.744
EDG-MED-5d232de5-2
0.738
EDG-MED-5d232de5-1
0.738
ALP-POS-ce760d3f-7
0.738
EDJ-MED-ba7e64f2-1
0.738
BEN-DND-c852c98b-4
0.738
ALP-POS-696356e4-1
0.738
ALF-EVA-5b152d2f-2
0.721
MAT-POS-8695a11f-2
0.716
ERI-UCB-8d4e5055-2
0.716
MAK-UNK-8be7dca9-7
0.713
MAT-POS-8293a91a-3
0.705
BEN-DND-c852c98b-3
0.705
MAT-POS-f9802937-7
0.705
BEN-DND-c852c98b-5
0.705
PET-UNK-ee8352fa-4
0.705
ERI-UCB-8d4e5055-4
0.705
BEN-DND-c852c98b-1
0.697
BEN-DND-c852c98b-7
0.697
MAT-POS-86c60949-3
0.694
ERI-UCB-8d4e5055-5
0.694
ALF-EVA-5b152d2f-7
0.689
RAL-THA-b9d6aec1-3
0.689
MAT-POS-b3e365b9-2
0.686
MAT-POS-b3e365b9-1
0.686
VLA-UCB-1dbca3b4-15
0.686
MAT-POS-f7918075-1
0.686
BEN-DND-c852c98b-6
0.681
ALP-POS-ce760d3f-3
0.678
BEN-DND-4f474d93-2
0.678
RAL-THA-b9d6aec1-1
0.674
RAL-THA-b9d6aec1-2
0.674
BEN-DND-c852c98b-2
0.674
MAT-POS-419aafdb-1
0.670
ALF-EVA-5b152d2f-8
0.663
MAT-POS-419aafdb-2
0.660
MAK-UNK-8be7dca9-5
0.659
RUB-POS-1325a9ea-10
0.659
WIL-UCB-7ba4ac3a-1
0.656
PET-UNK-ee8352fa-5
0.652
ALP-POS-ce760d3f-2
0.648
PET-UNK-b1ef24dc-7
0.648
ALF-EVA-5b152d2f-3
0.648
BEN-DND-4f474d93-1
0.648
BEN-DND-4f474d93-3
0.648
MAK-UNK-8be7dca9-2
0.645
MAK-UNK-8be7dca9-4
0.639
PET-UNK-b38839dc-4
0.638
PET-UNK-ee8352fa-6
0.634
JAG-UCB-571deb56-5
0.632
MAT-POS-8040981b-1
0.630
PET-UNK-b38839dc-5
0.628
PET-UNK-f4e47ebd-3
0.628
MAK-UNK-8be7dca9-9
0.626
PET-UNK-03fd2068-1
0.626
JAG-UCB-571deb56-2
0.625
PET-UNK-b38839dc-3
0.622
JAG-UCB-571deb56-4
0.612
PET-UNK-b1ef24dc-8
0.611
MIC-UNK-7574fcc6-2
0.611
ERI-UCB-b3e6b0c2-1
0.609
MAT-POS-7ddaf7de-2
0.606
PET-UNK-6314f867-1
0.606
ERI-UCB-8d4e5055-3
0.606
JAG-UCB-571deb56-1
0.600
ALF-EVA-5b152d2f-5
0.600
MAT-POS-1ecf5680-1
0.598
MAT-POS-14f31916-5
0.598
PET-UNK-7f7e354d-1
0.598
LON-WEI-0a73fcb8-7
0.596
JAG-UCB-571deb56-6
0.594
PET-UNK-f4e47ebd-4
0.594
TET-ENA-382364b7-1
0.594
ADA-UCB-dc2b944c-8
0.591
MAT-POS-a2421bb6-3
0.589
MAT-POS-7ddaf7de-1
0.587
JAG-UCB-571deb56-3
0.587
MAT-POS-14f31916-1
0.585
MAT-POS-d8472c4f-6
0.585
MAK-UNK-8be7dca9-6
0.583
NAU-LAT-b7d8c353-8
0.583
ERI-UCB-8d4e5055-1
0.583
MAK-UNK-8be7dca9-1
0.583
MAT-POS-1ecf5680-2
0.582
MAT-POS-14f31916-2
0.579
MAT-POS-acfe5bae-5
0.579
ERI-UCB-9c7ec71b-2
0.578
EDJ-MED-e9694d2b-1
0.578
MAT-POS-ee5e8e94-1
0.577
ROB-UNI-6ee2df8c-1
0.576
PET-UNK-b1ef24dc-5
0.576
ALF-EVA-5b152d2f-1
0.574
ALF-EVA-ced740bd-1
0.573
EDJ-MED-51d3200d-4
0.571
JAG-UCB-571deb56-7
0.571
PET-UNK-e274cad4-2
0.568
MAT-POS-acfe5bae-1
0.567
MAT-POS-ee5e8e94-2
0.567
MAT-POS-7ddaf7de-4
0.567