Molecular Properties | |
SMILES: | N#Cc1cc2c(c(F)c1F)OCCC2C(=O)Nc1cncc2ccccc12 |
MW: | 365.1 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 75.01 |
cLogP: | 3.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-fe871b40-1
0.678
RAL-THA-05e671eb-20
0.678
RAL-THA-05e671eb-24
0.667
ALP-POS-c86619f0-1
0.659
RAL-THA-05e671eb-15
0.640
RAL-THA-05e671eb-17
0.626
RAL-THA-05e671eb-22
0.621
ALP-POS-ce760d3f-1
0.615
RAL-THA-05e671eb-18
0.609
DAR-DIA-6a508060-3
0.609
RAL-THA-05e671eb-7
0.609
ALP-UNI-3735e77e-2
0.604
RAL-THA-05e671eb-16
0.604
ALP-POS-869ac754-2
0.596
RAL-THA-05e671eb-13
0.593
RAL-THA-05e671eb-21
0.584
MAT-POS-43fe65f4-1
0.579
EDJ-MED-e4b030d8-7
0.579
EDJ-MED-e4b030d8-5
0.579
RAL-THA-05e671eb-19
0.579
DAR-DIA-6a508060-4
0.579
PET-UNK-c0891748-2
0.576
EDJ-MED-12f7f543-1
0.576
ALP-POS-fe871b40-5
0.576
RAL-THA-05e671eb-25
0.576
RAL-THA-05e671eb-4
0.576
PET-UNK-c0891748-8
0.576
ADA-UCB-dc2b944c-7
0.576
MIC-UNK-08fa0751-1
0.576
RAL-THA-05e671eb-11
0.564
ALP-UNI-3735e77e-3
0.564
LAU-MED-88a3970a-5
0.561
LAU-MED-88a3970a-6
0.561
LAU-MED-88a3970a-17
0.560
LAU-MED-88a3970a-18
0.560
DAR-DIA-0587064e-15
0.560
MAT-POS-5369c344-1
0.560
RAL-THA-05e671eb-23
0.559
ALP-POS-d91e0300-1
0.558
RAL-THA-05e671eb-10
0.558
ALP-POS-fe871b40-9
0.558
MAT-POS-a13804f0-3
0.558
MAT-POS-a13804f0-2
0.558
RAL-THA-05e671eb-1
0.556
RAL-THA-05e671eb-5
0.553
ADA-UCB-dc2b944c-5
0.553
LAU-MED-88a3970a-7
0.550
EDJ-MED-e4b030d8-4
0.550
LAU-MED-88a3970a-8
0.550
MAT-POS-5369c344-4
0.550
DAR-DIA-0587064e-12
0.550
RYA-UNI-6d7114fd-1
0.548
ALP-POS-869ac754-1
0.548
RAL-THA-05e671eb-2
0.548
RAL-THA-05e671eb-36
0.547
LAU-MED-88a3970a-1
0.545
LAU-MED-88a3970a-9
0.545
LAU-MED-88a3970a-10
0.545
LAU-MED-88a3970a-16
0.545
LAU-MED-88a3970a-2
0.545
LAU-MED-88a3970a-15
0.545
RAL-THA-05e671eb-3
0.543
VLA-UCB-1dbca3b4-15
0.543
MAT-POS-b3e365b9-1
0.543
MAT-POS-b3e365b9-2
0.543
MAT-POS-f7918075-1
0.543
LAU-MED-88a3970a-11
0.539
LAU-MED-88a3970a-12
0.539
LAU-MED-88a3970a-13
0.539
DAR-DIA-0587064e-17
0.539
LAU-MED-88a3970a-14
0.539
NAU-LAT-0543f7f2-10
0.538
RAL-THA-05e671eb-12
0.537
MAT-POS-11b63608-1
0.537
RAL-THA-05e671eb-6
0.536
RAL-THA-05e671eb-14
0.536
LAU-MED-88a3970a-3
0.534
LAU-MED-88a3970a-4
0.534
MAT-POS-5369c344-2
0.533
DAR-DIA-0587064e-10
0.533
DAR-DIA-0587064e-26
0.532
DAR-DIA-6a508060-5
0.529
VLA-UCB-05e51b3f-11
0.529
VLA-UCB-50c39ae8-8
0.529
RAL-THA-05e671eb-9
0.526
DAR-DIA-6a508060-8
0.526
FRA-DIA-b66f7109-3
0.524
DAR-DIA-23e5a6a0-8
0.523
KAD-UNI-877d7bed-17
0.522
RAL-THA-05e671eb-8
0.520
DAR-DIA-0587064e-19
0.519
DAR-DIA-23e5a6a0-10
0.519
MAT-POS-5369c344-3
0.519
DAR-DIA-0587064e-24
0.518
ALP-POS-fe871b40-2
0.515
VLA-UNK-8e76d113-1
0.515
BEN-BAS-c2bc0d80-5
0.510
DAR-DIA-23e5a6a0-3
0.509
DAR-DIA-23e5a6a0-5
0.509
DAR-DIA-0587064e-22
0.509