Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1COc2c(O)cc(Cl)cc21 |
MW: | 340.06 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.45 |
cLogP: | 3.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-ce760d3f-1
0.728
FRA-DIA-0fa076fe-2
0.675
FRA-DIA-c7e803f4-1
0.637
FRA-DIA-0fa076fe-1
0.637
EDJ-MED-12c115cc-2
0.614
EDJ-MED-12c115cc-1
0.614
MAT-POS-f7918075-2
0.614
MAT-POS-bbbbc21a-2
0.614
ALP-UNI-3735e77e-2
0.598
RAL-THA-05e671eb-16
0.598
EDJ-MED-e4b030d8-5
0.571
FRA-DIA-b66f7109-2
0.568
RAL-THA-05e671eb-18
0.567
RAL-THA-05e671eb-17
0.567
DAR-DIA-9f765dc6-2
0.562
DAR-DIA-9f765dc6-6
0.562
DAR-DIA-9f765dc6-5
0.562
MAT-POS-43fe65f4-1
0.554
EDJ-MED-e4b030d8-7
0.554
RAL-THA-05e671eb-19
0.554
DAR-DIA-6a508060-4
0.554
BEN-DND-f2e727cd-4
0.551
ALP-UNI-c3ef0aba-2
0.551
ALP-POS-fe871b40-1
0.548
RAL-THA-05e671eb-20
0.548
EDJ-MED-e4b030d8-4
0.542
ALF-EVA-ced740bd-4
0.540
LAU-MED-88a3970a-5
0.537
LAU-MED-88a3970a-6
0.537
LAU-MED-88a3970a-16
0.536
LAU-MED-88a3970a-15
0.536
ALP-UNI-c3ef0aba-1
0.534
MAT-POS-f7918075-1
0.533
PET-UNK-c0891748-2
0.533
EDJ-MED-12f7f543-1
0.533
RAL-THA-05e671eb-25
0.533
ALP-POS-fe871b40-5
0.533
VLA-UCB-1dbca3b4-15
0.533
MAT-POS-b3e365b9-2
0.533
PET-UNK-c0891748-8
0.533
MAT-POS-b3e365b9-1
0.533
LAU-MED-88a3970a-12
0.531
LAU-MED-88a3970a-11
0.531
BEN-BAS-c2bc0d80-1
0.528
DAR-DIA-0587064e-12
0.526
LAU-MED-88a3970a-8
0.526
MAT-POS-5369c344-4
0.526
LAU-MED-88a3970a-7
0.526
DAR-DIA-23e5a6a0-10
0.525
RAL-THA-05e671eb-21
0.523
LAU-MED-88a3970a-9
0.520
MIC-UNK-08fa0751-1
0.520
LAU-MED-88a3970a-10
0.520
LAU-MED-88a3970a-17
0.520
LAU-MED-88a3970a-18
0.520
DAR-DIA-0587064e-15
0.520
MAT-POS-5369c344-1
0.520
LAU-MED-88a3970a-2
0.520
LAU-MED-88a3970a-1
0.520
VLA-UCB-05e51b3f-11
0.520
DAR-DIA-6a508060-5
0.520
VLA-UCB-50c39ae8-8
0.520
RAL-THA-05e671eb-3
0.516
ALP-UNI-ba800595-1
0.516
DAR-DIA-9f765dc6-1
0.516
DAR-DIA-9f765dc6-4
0.516
ALF-EVA-5b152d2f-1
0.516
DAR-DIA-9f765dc6-3
0.516
LAU-MED-88a3970a-13
0.515
DAR-DIA-0587064e-17
0.515
LAU-MED-88a3970a-14
0.515
MAR-UCB-6ab2ec87-1
0.511
PET-UNK-022eab87-1
0.511
ALP-UNI-4b8a177c-1
0.511
MAT-POS-43c25e9b-1
0.511
MAT-POS-22e8b45a-1
0.511
ROB-UNI-322e8f70-3
0.511
MAT-POS-43c25e9b-2
0.511
MIC-UNK-45817b9b-1
0.511
EDJ-MED-a6bd50ad-1
0.511
MAT-POS-f39f51fd-1
0.511
MAT-POS-865c3497-2
0.511
RAL-THA-05e671eb-26
0.511
MAT-POS-865c3497-1
0.511
MIC-UNK-91acba05-1
0.511
DAR-DIA-0d514e7d-1
0.510
DAR-DIA-0d514e7d-2
0.510
LAU-MED-88a3970a-4
0.510
LAU-MED-88a3970a-3
0.510
DAR-DIA-0587064e-10
0.510
MAT-POS-5369c344-2
0.510
DAR-DIA-23e5a6a0-7
0.510
ALP-POS-869ac754-1
0.505
RYA-UNI-6d7114fd-1
0.505
BEN-BAS-c2bc0d80-2
0.505
RAL-THA-05e671eb-2
0.505
PET-UNK-1b92fa34-1
0.505
MAT-POS-2e8b2191-3
0.505
MAT-POS-2e8b2191-2
0.505
PET-UNK-c0891748-6
0.505