Molecular Properties | |
SMILES: | COc1cccc2c1OCCC2C(=O)Nc1cncc2ccccc12 |
MW: | 334.13 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 3.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
MAT-POS-43fe65f4-1
0.706
RAL-THA-05e671eb-19
0.706
EDJ-MED-e4b030d8-7
0.706
DAR-DIA-6a508060-4
0.706
RAL-THA-05e671eb-22
0.679
RAL-THA-05e671eb-21
0.679
RAL-THA-05e671eb-24
0.647
RAL-THA-05e671eb-35
0.632
ALP-POS-869ac754-2
0.631
RAL-THA-05e671eb-14
0.618
DAR-DIA-0587064e-17
0.617
DAR-DIA-0587064e-12
0.613
MAT-POS-5369c344-4
0.613
RAL-THA-05e671eb-1
0.607
ALP-POS-c86619f0-1
0.602
ALP-UNI-3735e77e-2
0.602
RAL-THA-05e671eb-16
0.602
RAL-THA-05e671eb-8
0.600
EDJ-MED-e4b030d8-4
0.596
ALP-POS-ce760d3f-1
0.596
EDJ-MED-12f7f543-1
0.591
PET-UNK-c0891748-8
0.591
PET-UNK-c0891748-2
0.591
ALP-POS-fe871b40-5
0.591
RAL-THA-05e671eb-25
0.591
RAL-THA-05e671eb-13
0.591
DAR-DIA-0587064e-15
0.589
LAU-MED-88a3970a-1
0.589
LAU-MED-88a3970a-2
0.589
MAT-POS-5369c344-1
0.589
RAL-THA-05e671eb-18
0.589
RAL-THA-05e671eb-12
0.584
LAU-MED-88a3970a-4
0.577
LAU-MED-88a3970a-3
0.577
RAL-THA-05e671eb-3
0.573
ADA-UCB-dc2b944c-7
0.573
RAL-THA-05e671eb-4
0.573
RAL-THA-05e671eb-17
0.571
VLA-UCB-05e51b3f-11
0.571
VLA-UCB-50c39ae8-8
0.571
LAU-MED-88a3970a-13
0.567
LAU-MED-88a3970a-14
0.567
ADA-UCB-dc2b944c-5
0.567
RAL-THA-05e671eb-15
0.567
RAL-THA-05e671eb-5
0.567
NAU-LAT-0543f7f2-10
0.564
MAT-POS-5369c344-5
0.564
MAT-POS-5369c344-7
0.564
RYA-UNI-6d7114fd-1
0.562
ALP-POS-869ac754-1
0.562
RAL-THA-05e671eb-2
0.562
DAR-DIA-0587064e-10
0.560
DAR-DIA-0587064e-19
0.560
MAT-POS-5369c344-3
0.560
MAT-POS-5369c344-2
0.560
EDJ-MED-e4b030d8-5
0.559
VLA-UNK-9a7dc93f-4
0.559
LAU-MED-88a3970a-5
0.558
LAU-MED-88a3970a-6
0.558
MAT-POS-b3e365b9-1
0.556
VLA-UCB-1dbca3b4-15
0.556
MAT-POS-b3e365b9-2
0.556
MAT-POS-f7918075-1
0.556
RAL-THA-05e671eb-9
0.554
DAR-DIA-6a508060-8
0.554
ALP-POS-fe871b40-1
0.553
RAL-THA-05e671eb-20
0.553
MAT-POS-11b63608-1
0.549
DAR-DIA-0587064e-22
0.549
DAR-DIA-23e5a6a0-5
0.549
DAR-DIA-23e5a6a0-3
0.549
KAD-UNI-877d7bed-16
0.548
KAD-UNI-877d7bed-20
0.546
DAR-DIA-0587064e-20
0.544
ALP-UNI-3735e77e-3
0.543
RAL-THA-05e671eb-11
0.543
DAR-DIA-0587064e-24
0.543
LAU-MED-88a3970a-9
0.541
LAU-MED-88a3970a-10
0.541
LAU-MED-88a3970a-17
0.541
LAU-MED-88a3970a-18
0.541
MAT-POS-5369c344-6
0.538
DAR-DIA-23e5a6a0-2
0.538
KAD-UNI-877d7bed-15
0.538
MAT-POS-a13804f0-3
0.538
RAL-THA-05e671eb-7
0.538
MAT-POS-a13804f0-2
0.538
ALP-POS-d91e0300-1
0.538
RAL-THA-05e671eb-10
0.538
ALP-POS-fe871b40-9
0.538
DAR-DIA-6a508060-3
0.538
LAU-MED-88a3970a-11
0.535
LAU-MED-88a3970a-12
0.535
KAD-UNI-877d7bed-1
0.533
DAR-DIA-23e5a6a0-1
0.533
KAD-UNI-877d7bed-8
0.533
KAD-UNI-877d7bed-12
0.533
RAL-THA-05e671eb-6
0.532
LAU-MED-88a3970a-7
0.531
LAU-MED-88a3970a-8
0.531