Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CCOc2ccc(C3CC3)cc21 |
MW: | None |
Fraction sp3: | None |
HBA: | None |
HBD: | None |
Rotatable Bonds: | None |
TPSA: | None |
cLogP: | None |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
RAL-THA-05e671eb-8
0.729
MAT-POS-b3e365b9-1
0.723
MAT-POS-b3e365b9-2
0.723
VLA-UCB-1dbca3b4-15
0.723
RAL-THA-05e671eb-4
0.723
ADA-UCB-dc2b944c-7
0.723
MAT-POS-f7918075-1
0.723
MAT-POS-11b63608-1
0.714
ADA-UCB-dc2b944c-5
0.714
RAL-THA-05e671eb-5
0.714
RAL-THA-05e671eb-7
0.698
DAR-DIA-6a508060-3
0.698
RAL-THA-05e671eb-6
0.690
RAL-THA-05e671eb-1
0.683
RYA-UNI-6d7114fd-1
0.651
ALP-POS-869ac754-1
0.651
RAL-THA-05e671eb-2
0.651
MAT-POS-a13804f0-2
0.640
RAL-THA-05e671eb-10
0.640
MAT-POS-a13804f0-3
0.640
RAL-THA-05e671eb-9
0.640
ALP-POS-fe871b40-9
0.640
ALP-POS-d91e0300-1
0.640
RAL-THA-05e671eb-11
0.629
ALP-UNI-3735e77e-3
0.629
RAL-THA-05e671eb-14
0.615
RAL-THA-05e671eb-3
0.607
RAL-THA-05e671eb-13
0.607
RAL-THA-05e671eb-12
0.600
RAL-THA-05e671eb-15
0.600
ALF-EVA-5b152d2f-1
0.587
RAL-THA-05e671eb-21
0.580
RAL-THA-05e671eb-16
0.565
ALP-UNI-3735e77e-2
0.565
ALF-EVA-5b152d2f-7
0.562
ALF-EVA-5b152d2f-5
0.562
RAL-THA-05e671eb-22
0.562
EDJ-MED-e4b030d8-7
0.558
DAR-DIA-6a508060-4
0.558
RAL-THA-05e671eb-19
0.558
MAT-POS-43fe65f4-1
0.558
ALP-POS-869ac754-2
0.556
PET-UNK-c0891748-8
0.554
RAL-THA-05e671eb-23
0.554
ALP-POS-fe871b40-5
0.554
RAL-THA-05e671eb-25
0.554
EDJ-MED-12f7f543-1
0.554
PET-UNK-c0891748-2
0.554
ALP-POS-c86619f0-1
0.548
MAT-POS-bbbbc21a-2
0.544
MAT-POS-f7918075-2
0.544
EDJ-MED-12c115cc-2
0.544
EDJ-MED-12c115cc-1
0.544
ALP-POS-ce760d3f-1
0.543
RAL-THA-05e671eb-29
0.543
EDJ-MED-e4b030d8-8
0.543
RAL-THA-05e671eb-35
0.543
EDJ-MED-e4b030d8-5
0.542
DAR-DIA-0587064e-15
0.540
MAT-POS-5369c344-1
0.540
EDJ-MED-e4b030d8-9
0.538
RAL-THA-05e671eb-24
0.538
RAL-THA-05e671eb-34
0.538
RAL-THA-05e671eb-18
0.537
RAL-THA-05e671eb-17
0.537
ALP-POS-fe871b40-1
0.536
RAL-THA-05e671eb-20
0.536
RAL-THA-05e671eb-27
0.532
EDG-MED-5d232de5-2
0.532
EDG-MED-5d232de5-1
0.532
EDJ-MED-e4b030d8-10
0.532
ALP-POS-ce760d3f-7
0.532
ALP-POS-696356e4-1
0.532
RAL-THA-05e671eb-26
0.532
MAT-POS-5369c344-4
0.530
DAR-DIA-0587064e-12
0.530
LAU-MED-88a3970a-4
0.529
LAU-MED-88a3970a-3
0.529
ALF-EVA-ced740bd-4
0.527
RAL-THA-05e671eb-32
0.527
RAL-THA-05e671eb-28
0.526
RAL-THA-05e671eb-30
0.526
MAT-POS-f9802937-7
0.526
VLA-UNK-9a7dc93f-4
0.526
LAU-MED-88a3970a-2
0.525
LAU-MED-88a3970a-1
0.525
VLA-UCB-05e51b3f-11
0.524
VLA-UCB-50c39ae8-8
0.524
BEN-DND-4f474d93-3
0.521
ALP-POS-ce760d3f-2
0.521
RAL-THA-05e671eb-33
0.521
BEN-DND-4f474d93-1
0.521
PET-UNK-03fd2068-1
0.521
ALF-EVA-5b152d2f-4
0.521
PET-UNK-6314f867-1
0.520
DAR-DIA-0587064e-17
0.520
FRA-DIA-b66f7109-3
0.519
ALP-POS-ce760d3f-3
0.516
EDJ-MED-ba7e64f2-1
0.516
BEN-DND-4f474d93-2
0.516