Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccc(Cl)cc12)[C@@H]1CCCOc2ccc(Cl)cc21 |
MW: | 386.06 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 5.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-b3e365b9-1
ALF-EVA-5b152d2f-1
0.765
EDJ-MED-ba7e64f2-1
0.679
ALP-POS-ce760d3f-7
0.679
ALP-POS-696356e4-1
0.679
BEN-DND-c852c98b-4
0.679
EDG-MED-5d232de5-2
0.679
EDG-MED-5d232de5-1
0.679
BEN-DND-c852c98b-5
0.667
ERI-UCB-8d4e5055-4
0.667
ALF-EVA-5b152d2f-2
0.663
MAK-UNK-8be7dca9-7
0.655
ALF-EVA-5b152d2f-7
0.652
ALP-POS-82da25a3-2
0.648
BEN-DND-c852c98b-3
0.648
MAT-POS-f9802937-7
0.648
PET-UNK-ee8352fa-4
0.648
MAT-POS-8293a91a-3
0.648
ROB-UNI-6ee2df8c-1
0.647
BEN-DND-c852c98b-1
0.640
BEN-DND-c852c98b-7
0.640
BEN-DND-c852c98b-2
0.637
MAK-UNK-8be7dca9-8
0.633
RAL-THA-b9d6aec1-3
0.633
MAT-POS-b3e365b9-2
0.628
MAT-POS-b3e365b9-1
0.628
MAT-POS-f7918075-1
0.628
VLA-UCB-1dbca3b4-15
0.628
BEN-DND-c852c98b-6
0.626
BEN-DND-4f474d93-2
0.621
ALP-POS-ce760d3f-3
0.621
RAL-THA-b9d6aec1-1
0.620
RAL-THA-b9d6aec1-2
0.620
MAT-POS-419aafdb-2
0.606
WIL-UCB-7ba4ac3a-1
0.600
MAT-POS-419aafdb-1
0.600
BEN-DND-4f474d93-1
0.591
BEN-DND-4f474d93-3
0.591
ALP-POS-ce760d3f-2
0.591
MAK-UNK-8be7dca9-4
0.588
RUB-POS-1325a9ea-10
0.587
PET-UNK-b38839dc-4
0.585
PET-UNK-ee8352fa-6
0.581
PET-UNK-ee8352fa-5
0.581
ALF-EVA-5b152d2f-5
0.581
PET-UNK-b38839dc-5
0.574
PET-UNK-f4e47ebd-3
0.574
MAK-UNK-8be7dca9-9
0.571
PET-UNK-03fd2068-1
0.571
MAR-UCB-6ab2ec87-5
0.568
PET-UNK-b38839dc-3
0.567
ERI-UCB-8d4e5055-2
0.564
MAT-POS-8695a11f-2
0.564
ALP-POS-82da25a3-1
0.559
MAK-UNK-8be7dca9-2
0.558
ALF-EVA-5b152d2f-8
0.558
PET-UNK-b1ef24dc-7
0.556
MIC-UNK-7574fcc6-2
0.556
PET-UNK-b1ef24dc-8
0.556
MAK-UNK-8be7dca9-5
0.553
PET-UNK-6314f867-1
0.553
ERI-UCB-8d4e5055-3
0.553
MAT-POS-7ddaf7de-2
0.553
MAT-POS-14f31916-1
0.548
MAT-POS-d8472c4f-6
0.548
ERI-UCB-8d4e5055-5
0.548
MAT-POS-86c60949-3
0.548
MAT-POS-14f31916-5
0.543
PET-UNK-7f7e354d-1
0.543
MAT-POS-8040981b-1
0.543
TET-ENA-382364b7-1
0.542
PET-UNK-f4e47ebd-4
0.542
ERI-UCB-b3e6b0c2-1
0.538
ADA-UCB-dc2b944c-8
0.538
JAG-UCB-571deb56-5
0.531
MAT-POS-1ecf5680-1
0.531
MAT-POS-1ecf5680-2
0.531
JAG-UCB-571deb56-4
0.530
MAT-POS-14f31916-2
0.526
MAT-POS-acfe5bae-5
0.526
MAT-POS-14f31916-3
0.526
JAG-UCB-571deb56-2
0.525
PET-UNK-b1ef24dc-5
0.522
MAT-POS-a2421bb6-3
0.521
ALF-EVA-ced740bd-1
0.521
NAU-LAT-b7d8c353-8
0.515
MAK-UNK-8be7dca9-6
0.515
MAT-POS-acfe5bae-1
0.515
MAT-POS-ee5e8e94-2
0.515
ALF-EVA-ced740bd-2
0.515
EDJ-MED-12c115cc-1
0.511
MAT-POS-afb6844f-1
0.511
MAT-POS-7ddaf7de-4
0.511
MAT-POS-f7918075-2
0.511
MAT-POS-bbbbc21a-2
0.511
EDJ-MED-12c115cc-2
0.511
BEN-DND-a7517465-2
0.511
BEN-DND-a7517465-5
0.511
PET-UNK-e274cad4-7
0.511
BEN-DND-a7517465-3
0.511
PET-UNK-b1ef24dc-6
0.511