Molecular Properties | |
SMILES: | Cc1ccc2c(c1)OCCC2C(=O)Nc1cncc2ccccc12 |
MW: | 318.14 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
RAL-THA-05e671eb-3
0.741
RAL-THA-05e671eb-13
0.741
ADA-UCB-dc2b944c-5
0.732
RAL-THA-05e671eb-15
0.732
RAL-THA-05e671eb-5
0.732
RAL-THA-05e671eb-14
0.726
RAL-THA-05e671eb-1
0.679
RAL-THA-05e671eb-9
0.674
ALP-POS-869ac754-1
0.667
RAL-THA-05e671eb-2
0.667
RYA-UNI-6d7114fd-1
0.667
ALP-UNI-3735e77e-3
0.644
RAL-THA-05e671eb-11
0.644
MAT-POS-a13804f0-3
0.636
MAT-POS-a13804f0-2
0.636
RAL-THA-05e671eb-10
0.636
ALP-POS-d91e0300-1
0.636
ALP-POS-fe871b40-9
0.636
MAT-POS-b3e365b9-2
0.621
VLA-UCB-1dbca3b4-15
0.621
MAT-POS-b3e365b9-1
0.621
MAT-POS-f7918075-1
0.621
ADA-UCB-dc2b944c-7
0.621
RAL-THA-05e671eb-4
0.621
MAT-POS-11b63608-1
0.614
RAL-THA-05e671eb-8
0.611
RAL-THA-05e671eb-34
0.602
RAL-THA-05e671eb-7
0.600
DAR-DIA-6a508060-3
0.600
DAR-DIA-6a508060-8
0.600
RAL-THA-05e671eb-6
0.593
RAL-THA-05e671eb-21
0.593
RAL-THA-05e671eb-22
0.593
EDJ-MED-e4b030d8-8
0.589
RAL-THA-05e671eb-35
0.589
RAL-THA-05e671eb-29
0.589
ALP-POS-869ac754-2
0.586
RAL-THA-05e671eb-24
0.584
RAL-THA-05e671eb-23
0.584
RAL-THA-05e671eb-18
0.582
ALP-POS-c86619f0-1
0.578
RAL-THA-05e671eb-32
0.573
ALP-POS-ce760d3f-1
0.571
PET-UNK-c0891748-8
0.567
RAL-THA-05e671eb-33
0.567
PET-UNK-c0891748-2
0.567
RAL-THA-05e671eb-25
0.567
EDJ-MED-12f7f543-1
0.567
ALP-POS-fe871b40-5
0.567
ALP-UNI-3735e77e-2
0.560
RAL-THA-05e671eb-16
0.560
RAL-THA-05e671eb-36
0.554
RAL-THA-05e671eb-19
0.553
EDJ-MED-e4b030d8-7
0.553
DAR-DIA-6a508060-4
0.553
MAT-POS-43fe65f4-1
0.553
RAL-THA-05e671eb-17
0.548
EDJ-MED-e4b030d8-10
0.543
RAL-THA-05e671eb-27
0.543
RAL-THA-05e671eb-26
0.543
RAL-THA-05e671eb-28
0.538
EDJ-MED-e4b030d8-5
0.537
VLA-UNK-9a7dc93f-4
0.537
RAL-THA-05e671eb-30
0.537
EDJ-MED-e4b030d8-9
0.533
ALF-EVA-5b152d2f-1
0.532
ALP-POS-fe871b40-1
0.531
RAL-THA-05e671eb-20
0.531
MAT-POS-5369c344-4
0.525
DAR-DIA-0587064e-12
0.525
LAU-MED-88a3970a-6
0.520
LAU-MED-88a3970a-5
0.520
LAU-MED-88a3970a-1
0.520
LAU-MED-88a3970a-17
0.520
LAU-MED-88a3970a-18
0.520
LAU-MED-88a3970a-2
0.520
LAU-MED-88a3970a-10
0.520
LAU-MED-88a3970a-9
0.520
RAL-THA-05e671eb-31
0.515
LAU-MED-88a3970a-12
0.515
LAU-MED-88a3970a-13
0.515
LAU-MED-88a3970a-14
0.515
LAU-MED-88a3970a-11
0.515
DAR-DIA-0587064e-17
0.515
LAU-MED-88a3970a-8
0.510
EDJ-MED-e4b030d8-4
0.510
LAU-MED-88a3970a-7
0.510
LAU-MED-88a3970a-16
0.505
LAU-MED-88a3970a-15
0.505
MIC-UNK-08fa0751-1
0.505
DAR-DIA-0587064e-15
0.505
MAT-POS-5369c344-1
0.505
DAR-DIA-6a508060-5
0.505
VLA-UCB-05e51b3f-11
0.505
VLA-UCB-50c39ae8-8
0.505
ALF-EVA-5b152d2f-2
0.500
LAU-MED-88a3970a-3
0.495
LAU-MED-88a3970a-4
0.495
ALF-EVA-82cf4849-5
0.495
ALP-UNI-4b8a177c-1
0.495