Molecular Properties | |
SMILES: | CC(=O)NCCOc1cc(Cl)cc2c1OCCC2C(=O)Nc1cncc2ccccc12 |
MW: | 439.13 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 89.55 |
cLogP: | 3.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
DAR-DIA-0587064e-12
0.826
DAR-DIA-0587064e-17
0.809
LAU-MED-88a3970a-1
0.798
LAU-MED-88a3970a-2
0.798
LAU-MED-88a3970a-3
0.781
LAU-MED-88a3970a-4
0.781
DAR-DIA-0587064e-10
0.758
DAR-DIA-0587064e-20
0.752
DAR-DIA-0587064e-15
0.742
EDJ-MED-e4b030d8-7
0.716
MAT-POS-43fe65f4-1
0.716
DAR-DIA-6a508060-4
0.716
RAL-THA-05e671eb-19
0.716
DAR-DIA-0587064e-19
0.706
DAR-DIA-0587064e-22
0.692
DAR-DIA-0587064e-24
0.667
EDJ-MED-e4b030d8-4
0.663
VLA-UCB-50c39ae8-8
0.638
VLA-UCB-05e51b3f-11
0.638
LAU-MED-88a3970a-13
0.635
LAU-MED-88a3970a-14
0.635
LAU-MED-88a3970a-7
0.631
LAU-MED-88a3970a-8
0.631
RAL-THA-05e671eb-17
0.626
RAL-THA-05e671eb-18
0.626
ALP-UNI-3735e77e-2
0.622
RAL-THA-05e671eb-16
0.622
LAU-MED-88a3970a-11
0.619
LAU-MED-88a3970a-12
0.619
ALP-POS-ce760d3f-1
0.616
DAR-DIA-23e5a6a0-3
0.615
DAR-DIA-23e5a6a0-5
0.615
EDJ-MED-e4b030d8-5
0.614
LAU-MED-88a3970a-5
0.612
LAU-MED-88a3970a-6
0.612
LAU-MED-88a3970a-9
0.610
LAU-MED-88a3970a-10
0.610
LAU-MED-88a3970a-17
0.610
LAU-MED-88a3970a-18
0.610
ALP-POS-fe871b40-1
0.608
RAL-THA-05e671eb-20
0.608
DAR-DIA-23e5a6a0-2
0.604
DAR-DIA-23e5a6a0-1
0.598
LAU-MED-88a3970a-15
0.594
LAU-MED-88a3970a-16
0.594
DAR-DIA-23e5a6a0-4
0.593
DAR-DIA-6a508060-5
0.593
DAR-DIA-23e5a6a0-10
0.582
MIC-UNK-08fa0751-1
0.579
DAR-DIA-23e5a6a0-8
0.571
DAR-DIA-23e5a6a0-6
0.570
DAR-DIA-23e5a6a0-7
0.566
RAL-THA-05e671eb-23
0.564
ALP-POS-fe871b40-5
0.564
RAL-THA-05e671eb-25
0.564
EDJ-MED-12f7f543-1
0.564
RAL-THA-05e671eb-21
0.556
DAR-DIA-23e5a6a0-9
0.552
DAR-DIA-0587064e-13
0.550
ALP-POS-869ac754-2
0.550
DAR-DIA-0587064e-16
0.541
VLA-UNK-9a7dc93f-4
0.538
VLA-UCB-1dbca3b4-15
0.534
MAT-POS-f7918075-1
0.534
MAT-POS-b3e365b9-1
0.534
MAT-POS-b3e365b9-2
0.534
RAL-THA-05e671eb-3
0.519
FRA-DIA-b66f7109-3
0.518
DAR-DIA-0587064e-26
0.513
RAL-THA-05e671eb-22
0.510
RAL-THA-05e671eb-2
0.510
ALP-POS-869ac754-1
0.510
RAL-THA-05e671eb-24
0.505
RAL-THA-05e671eb-9
0.505
DAR-DIA-6a508060-8
0.505
DAR-DIA-0587064e-11
0.504
DAR-DIA-0587064e-21
0.504
RAL-THA-05e671eb-14
0.500
MAT-POS-11b63608-1
0.500
DAR-DIA-0587064e-14
0.496
NAU-LAT-0543f7f2-9
0.495
ALP-UNI-3735e77e-3
0.495
RAL-THA-05e671eb-11
0.495
RAL-THA-05e671eb-10
0.491
ALP-POS-fe871b40-9
0.491
ALP-POS-d91e0300-1
0.491
MAT-POS-a13804f0-2
0.491
MAT-POS-a13804f0-3
0.491
ADA-UCB-dc2b944c-7
0.491
RAL-THA-05e671eb-4
0.491
RAL-THA-05e671eb-8
0.486
RAL-THA-05e671eb-5
0.486
RAL-THA-05e671eb-12
0.486
ADA-UCB-dc2b944c-5
0.486
RAL-THA-05e671eb-26
0.486
MAR-UCB-6ab2ec87-4
0.486
RAL-THA-05e671eb-1
0.485
DAR-DIA-0d514e7d-19
0.482
ALP-POS-fe871b40-6
0.481
ROB-UNI-611831f5-2
0.481