Molecular Properties | |
SMILES: | N#Cc1ccc2c(c1)C(C(=O)Nc1cncc3ccccc13)CCO2 |
MW: | None |
Fraction sp3: | None |
HBA: | None |
HBD: | None |
Rotatable Bonds: | None |
TPSA: | None |
cLogP: | None |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
DAR-DIA-6a508060-3
1.000
RAL-THA-05e671eb-15
0.735
MAT-POS-b3e365b9-1
0.723
RAL-THA-05e671eb-4
0.723
ADA-UCB-dc2b944c-7
0.723
VLA-UCB-1dbca3b4-15
0.723
MAT-POS-f7918075-1
0.723
MAT-POS-b3e365b9-2
0.723
MAT-POS-11b63608-1
0.714
ADA-UCB-dc2b944c-5
0.714
RAL-THA-05e671eb-5
0.714
DAR-DIA-6a508060-8
0.698
RAL-THA-05e671eb-8
0.690
RAL-THA-05e671eb-6
0.690
RAL-THA-05e671eb-1
0.663
RYA-UNI-6d7114fd-1
0.651
RAL-THA-05e671eb-2
0.651
ALP-POS-869ac754-1
0.651
PET-UNK-6314f867-1
0.637
RAL-THA-05e671eb-11
0.629
ALP-UNI-3735e77e-3
0.629
RAL-THA-05e671eb-9
0.622
ALP-POS-fe871b40-9
0.622
MAT-POS-a13804f0-3
0.622
MAT-POS-a13804f0-2
0.622
ALP-POS-d91e0300-1
0.622
RAL-THA-05e671eb-10
0.622
BEN-DND-c852c98b-1
0.620
VLA-UNK-9a7dc93f-4
0.609
RAL-THA-05e671eb-13
0.607
RAL-THA-05e671eb-3
0.607
RAL-THA-05e671eb-24
0.607
RAL-THA-05e671eb-20
0.602
ALP-POS-fe871b40-1
0.602
RAL-THA-05e671eb-12
0.600
DAR-DIA-0d514e7d-8
0.598
DAR-DIA-0d514e7d-11
0.598
ALF-EVA-5b152d2f-1
0.587
RAL-THA-05e671eb-14
0.581
RAL-THA-05e671eb-36
0.576
RAL-THA-05e671eb-25
0.571
EDJ-MED-12f7f543-1
0.571
ALP-POS-fe871b40-5
0.571
PET-UNK-c0891748-8
0.571
PET-UNK-c0891748-2
0.571
RAL-THA-05e671eb-31
0.568
ALP-POS-c86619f0-1
0.565
ALP-UNI-3735e77e-2
0.565
RAL-THA-05e671eb-16
0.565
RAL-THA-05e671eb-21
0.562
RAL-THA-05e671eb-22
0.562
RAL-THA-05e671eb-29
0.559
EDJ-MED-e4b030d8-8
0.559
ALP-POS-ce760d3f-1
0.559
ALP-POS-869ac754-2
0.556
RAL-THA-05e671eb-17
0.553
RAL-THA-05e671eb-18
0.553
EDJ-MED-e4b030d8-5
0.542
EDJ-MED-e4b030d8-7
0.542
RAL-THA-05e671eb-19
0.542
MAT-POS-43fe65f4-1
0.542
DAR-DIA-6a508060-4
0.542
MAT-POS-5369c344-1
0.540
DAR-DIA-0587064e-15
0.540
RAL-THA-05e671eb-23
0.538
RAL-THA-05e671eb-34
0.538
EDJ-MED-e4b030d8-9
0.538
RAL-THA-05e671eb-27
0.532
ALP-POS-ce760d3f-7
0.532
EDG-MED-5d232de5-1
0.532
RAL-THA-05e671eb-26
0.532
ALP-POS-696356e4-1
0.532
EDG-MED-5d232de5-2
0.532
EDJ-MED-e4b030d8-10
0.532
EDJ-MED-12c115cc-2
0.527
EDJ-MED-12c115cc-1
0.527
ALF-EVA-ced740bd-4
0.527
MAT-POS-bbbbc21a-2
0.527
MAT-POS-f7918075-2
0.527
RAL-THA-05e671eb-32
0.527
RAL-THA-05e671eb-35
0.526
RAL-THA-05e671eb-28
0.526
LAU-MED-88a3970a-6
0.525
LAU-MED-88a3970a-5
0.525
VLA-UCB-05e51b3f-11
0.524
VLA-UCB-50c39ae8-8
0.524
BEN-DND-4f474d93-3
0.521
RAL-THA-05e671eb-33
0.521
ALP-POS-ce760d3f-2
0.521
BEN-DND-4f474d93-1
0.521
PET-UNK-03fd2068-1
0.521
ALF-EVA-5b152d2f-4
0.521
EDG-MED-4b32601a-2
0.516
EDG-MED-fe7487f8-1
0.516
ANT-OPE-3d7cb11b-3
0.516
BEN-DND-4f474d93-2
0.516
BEN-DND-c852c98b-4
0.516
ALP-POS-ce760d3f-3
0.516
EDJ-MED-ba7e64f2-1
0.516
EDJ-MED-e4b030d8-4
0.515