Molecular Properties | |
SMILES: | N#Cc1cc(Cl)cc2c1OCCC2C(=O)Nc1cncc2ccccc12 |
MW: | 363.08 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 75.01 |
cLogP: | 4.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
ALP-POS-fe871b40-1
1.000
ALP-UNI-3735e77e-2
0.709
RAL-THA-05e671eb-16
0.709
ALP-POS-ce760d3f-1
0.701
RAL-THA-05e671eb-24
0.698
RAL-THA-05e671eb-17
0.693
RAL-THA-05e671eb-18
0.693
EDJ-MED-e4b030d8-5
0.678
DAR-DIA-6a508060-4
0.678
RAL-THA-05e671eb-19
0.678
MAT-POS-43fe65f4-1
0.678
VLA-UNK-9a7dc93f-4
0.678
EDJ-MED-e4b030d8-7
0.678
LAU-MED-88a3970a-6
0.656
LAU-MED-88a3970a-5
0.656
MAT-POS-5369c344-1
0.653
DAR-DIA-0587064e-15
0.653
EDJ-MED-e4b030d8-4
0.642
LAU-MED-88a3970a-7
0.642
MAT-POS-5369c344-4
0.642
DAR-DIA-0587064e-12
0.642
LAU-MED-88a3970a-8
0.642
RAL-THA-05e671eb-25
0.640
ALP-POS-fe871b40-5
0.640
PET-UNK-c0891748-2
0.640
EDJ-MED-12f7f543-1
0.640
PET-UNK-c0891748-8
0.640
LAU-MED-88a3970a-2
0.635
MIC-UNK-08fa0751-1
0.635
LAU-MED-88a3970a-1
0.635
LAU-MED-88a3970a-9
0.635
LAU-MED-88a3970a-10
0.635
LAU-MED-88a3970a-16
0.635
LAU-MED-88a3970a-17
0.635
LAU-MED-88a3970a-18
0.635
LAU-MED-88a3970a-15
0.635
LAU-MED-88a3970a-11
0.629
LAU-MED-88a3970a-12
0.629
LAU-MED-88a3970a-13
0.629
DAR-DIA-0587064e-17
0.629
LAU-MED-88a3970a-14
0.629
ALP-POS-fe871b40-2
0.624
LAU-MED-88a3970a-4
0.622
LAU-MED-88a3970a-3
0.622
DAR-DIA-6a508060-5
0.616
VLA-UCB-50c39ae8-8
0.616
VLA-UCB-05e51b3f-11
0.616
RAL-THA-05e671eb-21
0.614
DAR-DIA-23e5a6a0-8
0.608
NAU-LAT-0543f7f2-10
0.608
ALP-POS-869ac754-2
0.607
MAT-POS-b3e365b9-2
0.604
MAT-POS-b3e365b9-1
0.604
VLA-UCB-1dbca3b4-15
0.604
MAT-POS-f7918075-1
0.604
MAT-POS-5369c344-3
0.604
DAR-DIA-0587064e-10
0.604
MAT-POS-5369c344-2
0.604
DAR-DIA-23e5a6a0-10
0.604
DAR-DIA-0587064e-19
0.604
DAR-DIA-6a508060-3
0.602
RAL-THA-05e671eb-7
0.602
ALP-POS-c86619f0-1
0.598
RAL-THA-05e671eb-15
0.598
DAR-DIA-23e5a6a0-3
0.592
DAR-DIA-0587064e-22
0.592
MAT-POS-5369c344-5
0.592
MAT-POS-5369c344-7
0.592
DAR-DIA-23e5a6a0-5
0.592
KAD-UNI-877d7bed-17
0.587
RAL-THA-05e671eb-3
0.587
DAR-DIA-23e5a6a0-7
0.587
DAR-DIA-0587064e-20
0.587
MAT-POS-5369c344-6
0.581
DAR-DIA-23e5a6a0-2
0.581
RAL-THA-05e671eb-22
0.578
RAL-THA-05e671eb-2
0.576
RYA-UNI-6d7114fd-1
0.576
ALP-POS-869ac754-1
0.576
DAR-DIA-23e5a6a0-1
0.575
KAD-UNI-877d7bed-1
0.575
KAD-UNI-877d7bed-16
0.575
DAR-DIA-23e5a6a0-6
0.575
KAD-UNI-877d7bed-12
0.574
DAR-DIA-23e5a6a0-4
0.570
DAR-DIA-23e5a6a0-9
0.570
DAR-DIA-0587064e-24
0.570
ALP-POS-fe871b40-13
0.567
KAD-UNI-877d7bed-10
0.565
KAD-UNI-877d7bed-15
0.565
KAD-UNI-877d7bed-18
0.565
MAT-POS-11b63608-1
0.564
KAD-UNI-877d7bed-13
0.564
KAD-UNI-877d7bed-9
0.561
KAD-UNI-877d7bed-8
0.560
ALP-UNI-3735e77e-3
0.558
RAL-THA-05e671eb-11
0.558
KAD-UNI-877d7bed-2
0.555
KAD-UNI-877d7bed-19
0.555
KAD-UNI-877d7bed-5
0.554