Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CCN(CCO)c2ccc(Cl)cc21 |
MW: | 381.12 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 65.46 |
cLogP: | 3.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-477dc5b7-2
RAL-THA-8416115c-4
0.854
RAL-THA-8416115c-3
0.829
RAL-THA-4aa06b95-7
0.814
RAL-THA-8416115c-7
0.788
RAL-THA-8416115c-8
0.779
RAL-THA-8416115c-10
0.761
RAL-THA-8416115c-9
0.753
RAL-THA-8416115c-1
0.753
ALP-POS-966f8da6-1
0.720
RAL-THA-8416115c-11
0.720
ALP-UNI-b33a865d-1
0.720
RAL-THA-8416115c-6
0.720
RAL-THA-8416115c-14
0.713
MIC-UNK-91acba05-6
0.709
RAL-THA-8416115c-2
0.709
EDG-MED-5d232de5-6
0.709
EDG-MED-5d232de5-5
0.709
RAL-THA-4aa06b95-2
0.708
RAL-THA-8416115c-5
0.705
RAL-THA-8416115c-13
0.698
RAL-THA-8416115c-12
0.698
DAR-DIA-0f2f46c9-12
0.690
DAR-DIA-0f2f46c9-10
0.682
RAL-THA-4aa06b95-1
0.674
RAL-THA-c11c1343-1
0.674
EDG-MED-5d232de5-3
0.674
EDG-MED-5d232de5-4
0.674
ALP-POS-966f8da6-2
0.674
DAR-DIA-0f2f46c9-4
0.674
DAR-DIA-0f2f46c9-6
0.674
DAR-DIA-0f2f46c9-5
0.674
DAR-DIA-0f2f46c9-2
0.667
DAR-DIA-0f2f46c9-1
0.667
DAR-DIA-0f2f46c9-3
0.667
DAR-DIA-0f2f46c9-7
0.663
DAR-DIA-0f2f46c9-8
0.663
DAR-DIA-0f2f46c9-9
0.663
DAR-DIA-0f2f46c9-11
0.659
RAL-THA-4aa06b95-5
0.653
RAL-THA-4aa06b95-3
0.652
RAL-THA-4aa06b95-4
0.645
DAR-DIA-0f2f46c9-13
0.638
DAR-DIA-0f2f46c9-14
0.638
MAR-UCB-6ab2ec87-6
0.629
MIC-UNK-45817b9b-2
0.609
MAR-UCB-6ab2ec87-7
0.604
ALP-POS-d054b76b-1
0.591
MIC-UNK-91acba05-4
0.576
ALP-POS-477dc5b7-1
0.576
EDJ-MED-92e193ae-2
0.570
ALP-POS-477dc5b7-2
0.570
MIC-UNK-91acba05-5
0.570
EDJ-MED-92e193ae-1
0.570
LUO-POS-868e8996-14
0.559
VLA-UCB-1dbca3b4-15
0.559
MAT-POS-b3e365b9-1
0.559
MAT-POS-b3e365b9-2
0.559
MAT-POS-f7918075-1
0.559
MAT-POS-66a736cf-1
0.559
MIC-UNK-91acba05-3
0.559
LUO-POS-868e8996-13
0.559
MAT-POS-78e1d523-1
0.559
LAU-MED-88a3970a-6
0.545
LAU-MED-88a3970a-5
0.545
BEN-DND-f2e727cd-6
0.542
MAT-POS-dd3ad2b5-1
0.542
ALF-EVA-5b152d2f-1
0.542
ALP-POS-d054b76b-3
0.539
BEN-BAS-c2bc0d80-1
0.538
MAR-UCB-6ab2ec87-1
0.538
ALP-POS-a577c8a2-2
0.536
PET-UNK-162c14b2-1
0.535
PET-UNK-4d432d33-2
0.535
MAT-POS-61f37a1a-12
0.535
EDJ-MED-eb111c00-3
0.535
PET-UNK-4d432d33-6
0.535
MAT-POS-f7918075-2
0.533
MAT-POS-bbbbc21a-2
0.533
EDJ-MED-12c115cc-1
0.533
EDJ-MED-12c115cc-2
0.533
EDG-MED-fe7487f8-5
0.532
MIC-UNK-91acba05-2
0.531
EDJ-MED-eb111c00-1
0.531
RAL-THA-05e671eb-3
0.526
BEN-DND-f2e727cd-4
0.526
BEN-DND-f2e727cd-5
0.526
MAT-POS-d8472c4f-5
0.526
MAT-POS-3ccb8ef6-2
0.526
ALP-UNI-c3ef0aba-2
0.526
ALP-UNI-ba800595-1
0.526
MAT-POS-3ccb8ef6-1
0.526
PET-UNK-f860268d-2
0.525
PET-UNK-f860268d-5
0.525
PET-UNK-022eab87-1
0.521
MIC-UNK-91acba05-1
0.521
MAT-POS-22e8b45a-1
0.521
ROB-UNI-322e8f70-3
0.521
MIC-UNK-45817b9b-1
0.521
EDJ-MED-a6bd50ad-1
0.521
MAT-POS-43c25e9b-2
0.521