Molecular Properties | |
SMILES: | CNCCCc1cc(Cl)cc2c1OCC[C@@H]2C(=O)Nc1cncc2ccccc12 |
MW: | 409.16 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 63.25 |
cLogP: | 4.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
MAT-POS-b3e365b9-1
LAU-MED-88a3970a-12
1.000
LAU-MED-88a3970a-7
0.820
LAU-MED-88a3970a-8
0.820
LAU-MED-88a3970a-5
0.818
LAU-MED-88a3970a-6
0.818
LAU-MED-88a3970a-13
0.802
LAU-MED-88a3970a-14
0.802
LAU-MED-88a3970a-18
0.791
LAU-MED-88a3970a-17
0.791
LAU-MED-88a3970a-9
0.772
LAU-MED-88a3970a-10
0.772
LAU-MED-88a3970a-15
0.753
LAU-MED-88a3970a-16
0.753
ALP-UNI-3735e77e-2
0.681
RAL-THA-05e671eb-16
0.681
DAR-DIA-23e5a6a0-10
0.680
DAR-DIA-6a508060-5
0.677
RAL-THA-05e671eb-18
0.667
DAR-DIA-23e5a6a0-6
0.663
DAR-DIA-23e5a6a0-7
0.660
ALP-POS-ce760d3f-1
0.656
DAR-DIA-0587064e-12
0.653
MAT-POS-5369c344-4
0.653
RAL-THA-05e671eb-19
0.653
MAT-POS-43fe65f4-1
0.653
EDJ-MED-e4b030d8-7
0.653
DAR-DIA-6a508060-4
0.653
DAR-DIA-23e5a6a0-8
0.650
RAL-THA-05e671eb-17
0.649
DAR-DIA-23e5a6a0-9
0.642
DAR-DIA-0587064e-17
0.640
EDJ-MED-e4b030d8-5
0.635
LAU-MED-88a3970a-4
0.634
LAU-MED-88a3970a-3
0.634
LAU-MED-88a3970a-1
0.630
DAR-DIA-0587064e-15
0.630
LAU-MED-88a3970a-2
0.630
MAT-POS-5369c344-1
0.630
RAL-THA-05e671eb-20
0.629
ALP-POS-fe871b40-1
0.629
NAU-LAT-0543f7f2-10
0.619
MIC-UNK-08fa0751-1
0.614
EDJ-MED-e4b030d8-4
0.604
MAT-POS-5369c344-5
0.604
DAR-DIA-0587064e-22
0.604
DAR-DIA-0587064e-10
0.600
MAT-POS-5369c344-2
0.600
DAR-DIA-0587064e-20
0.598
KAD-UNI-877d7bed-18
0.591
DAR-DIA-23e5a6a0-5
0.589
DAR-DIA-0587064e-19
0.585
MAT-POS-5369c344-3
0.585
PET-UNK-c0891748-8
0.583
EDJ-MED-12f7f543-1
0.583
RAL-THA-05e671eb-25
0.583
PET-UNK-c0891748-2
0.583
ALP-POS-fe871b40-5
0.583
DAR-DIA-0587064e-24
0.582
VLA-UCB-05e51b3f-11
0.581
VLA-UCB-50c39ae8-8
0.581
DAR-DIA-23e5a6a0-2
0.578
KAD-UNI-877d7bed-6
0.575
RAL-THA-05e671eb-21
0.574
MAT-POS-5369c344-7
0.574
DAR-DIA-23e5a6a0-3
0.574
KAD-UNI-877d7bed-16
0.573
ALP-POS-869ac754-2
0.568
VLA-UCB-1dbca3b4-15
0.567
MAT-POS-b3e365b9-1
0.567
MAT-POS-b3e365b9-2
0.567
MAT-POS-f7918075-1
0.567
KAD-UNI-877d7bed-2
0.566
MAT-POS-5369c344-6
0.564
KAD-UNI-877d7bed-15
0.562
KAD-UNI-877d7bed-10
0.562
ALP-POS-c86619f0-1
0.561
FRA-DIA-b66f7109-3
0.561
DAR-DIA-23e5a6a0-1
0.559
KAD-UNI-877d7bed-1
0.559
KAD-UNI-877d7bed-12
0.558
KAD-UNI-877d7bed-8
0.558
KAD-UNI-877d7bed-11
0.557
DAR-DIA-23e5a6a0-4
0.554
RAL-THA-05e671eb-3
0.551
KAD-UNI-877d7bed-17
0.543
KAD-UNI-877d7bed-14
0.543
KAD-UNI-877d7bed-20
0.543
RAL-THA-05e671eb-22
0.542
RYA-UNI-6d7114fd-1
0.541
RAL-THA-05e671eb-2
0.541
ALP-POS-869ac754-1
0.541
VLA-UNK-9a7dc93f-4
0.539
KAD-UNI-877d7bed-19
0.539
KAD-UNI-877d7bed-5
0.538
RAL-THA-05e671eb-23
0.535
BEN-BAS-c2bc0d80-5
0.535
RAL-THA-05e671eb-9
0.535
KAD-UNI-877d7bed-13
0.534
MAR-UCB-6ab2ec87-4
0.531
RAL-THA-05e671eb-5
0.530