Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccc(C3CCC3)cc12)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 392.13 |
Fraction sp3: | 0.3 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 51.22 |
cLogP: | 5.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-b3e365b9-1
ALF-EVA-5b152d2f-5
0.750
BEN-DND-c852c98b-4
0.721
ALP-POS-696356e4-1
0.721
ALP-POS-ce760d3f-7
0.721
EDJ-MED-ba7e64f2-1
0.721
EDG-MED-5d232de5-1
0.721
EDG-MED-5d232de5-2
0.721
ALF-EVA-5b152d2f-2
0.705
MAK-UNK-8be7dca9-7
0.697
BEN-DND-c852c98b-5
0.689
ALP-POS-82da25a3-2
0.689
MAT-POS-f9802937-7
0.689
BEN-DND-c852c98b-3
0.689
ERI-UCB-8d4e5055-4
0.689
MAT-POS-8293a91a-3
0.689
PET-UNK-ee8352fa-4
0.689
BEN-DND-c852c98b-1
0.681
BEN-DND-c852c98b-7
0.681
RAL-THA-b9d6aec1-3
0.674
MAK-UNK-8be7dca9-8
0.674
VLA-UCB-1dbca3b4-15
0.670
MAT-POS-b3e365b9-2
0.670
MAT-POS-b3e365b9-1
0.670
MAT-POS-f7918075-1
0.670
BEN-DND-c852c98b-6
0.667
MAT-POS-419aafdb-2
0.663
BEN-DND-4f474d93-2
0.663
ALP-POS-ce760d3f-3
0.663
MAK-UNK-8be7dca9-4
0.660
BEN-DND-c852c98b-2
0.660
RAL-THA-b9d6aec1-1
0.660
RAL-THA-b9d6aec1-2
0.660
ALF-EVA-5b152d2f-3
0.652
WIL-UCB-7ba4ac3a-1
0.641
MAT-POS-419aafdb-1
0.639
BEN-DND-4f474d93-1
0.633
BEN-DND-4f474d93-3
0.633
ALP-POS-ce760d3f-2
0.633
PET-UNK-b38839dc-5
0.632
RUB-POS-1325a9ea-10
0.628
PET-UNK-ee8352fa-5
0.621
PET-UNK-ee8352fa-6
0.621
ALP-POS-82da25a3-1
0.617
PET-UNK-b1ef24dc-7
0.615
PET-UNK-f4e47ebd-3
0.615
PET-UNK-03fd2068-1
0.613
MAK-UNK-8be7dca9-9
0.613
PET-UNK-b38839dc-4
0.608
MAT-POS-afb6844f-5
0.602
ERI-UCB-8d4e5055-2
0.602
MAT-POS-8695a11f-2
0.602
ALF-EVA-5b152d2f-8
0.598
PET-UNK-b1ef24dc-5
0.598
MIC-UNK-7574fcc6-2
0.598
PET-UNK-b1ef24dc-8
0.598
PET-UNK-6314f867-1
0.594
MAT-POS-7ddaf7de-2
0.594
ERI-UCB-8d4e5055-3
0.594
MAK-UNK-8be7dca9-5
0.594
PET-UNK-b38839dc-3
0.591
MAT-POS-1ecf5680-2
0.586
JAG-UCB-571deb56-5
0.586
MAT-POS-14f31916-5
0.585
PET-UNK-7f7e354d-1
0.585
ERI-UCB-8d4e5055-5
0.585
MAT-POS-86c60949-3
0.585
MAK-UNK-8be7dca9-2
0.582
TET-ENA-382364b7-1
0.582
PET-UNK-f4e47ebd-4
0.582
ALF-EVA-5b152d2f-1
0.579
ADA-UCB-dc2b944c-8
0.579
MAT-POS-d8472c4f-6
0.573
MAT-POS-14f31916-1
0.573
MAT-POS-afb6844f-1
0.571
MAT-POS-1ecf5680-1
0.570
BEN-DND-a7517465-3
0.568
MAT-POS-acfe5bae-5
0.567
MAT-POS-14f31916-2
0.567
MAT-POS-8040981b-1
0.567
MAT-POS-ee5e8e94-1
0.566
TET-ENA-1a76f195-1
0.566
JAG-UCB-571deb56-2
0.564
MAT-POS-afb6844f-4
0.564
ROB-UNI-6ee2df8c-1
0.564
DAR-DIA-6a508060-8
0.562
ALF-EVA-ced740bd-1
0.561
MAT-POS-a2421bb6-3
0.561
JAG-UCB-c61058a9-11
0.559
NAU-LAT-b7d8c353-8
0.556
ALF-EVA-ced740bd-2
0.556
MAT-POS-acfe5bae-1
0.556
MAT-POS-ee5e8e94-2
0.556
MAK-UNK-8be7dca9-6
0.556
MAT-POS-7ddaf7de-4
0.554
JAG-UCB-c61058a9-9
0.554
JAG-UCB-571deb56-4
0.553
JAG-UCB-571deb56-6
0.552
BEN-DND-a7517465-2
0.552
BEN-DND-a7517465-5
0.552
PET-UNK-e274cad4-7
0.552