Molecular Properties | |
SMILES: | Cc1ccc2c(c1)C(C(=O)Nc1cncc3ccccc13)CCO2 |
MW: | 318.14 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
RAL-THA-05e671eb-5
1.000
ADA-UCB-dc2b944c-7
0.741
VLA-UCB-1dbca3b4-15
0.741
MAT-POS-f7918075-1
0.741
MAT-POS-b3e365b9-2
0.741
RAL-THA-05e671eb-4
0.741
MAT-POS-b3e365b9-1
0.741
RAL-THA-05e671eb-12
0.732
MAT-POS-11b63608-1
0.732
RAL-THA-05e671eb-8
0.726
DAR-DIA-6a508060-3
0.714
RAL-THA-05e671eb-7
0.714
DAR-DIA-6a508060-8
0.714
RAL-THA-05e671eb-6
0.706
RAL-THA-05e671eb-1
0.679
RAL-THA-05e671eb-9
0.674
RAL-THA-05e671eb-2
0.667
RYA-UNI-6d7114fd-1
0.667
ALP-POS-869ac754-1
0.667
RAL-THA-05e671eb-11
0.644
ALP-UNI-3735e77e-3
0.644
ALP-POS-d91e0300-1
0.636
MAT-POS-a13804f0-2
0.636
ALP-POS-fe871b40-9
0.636
MAT-POS-a13804f0-3
0.636
RAL-THA-05e671eb-10
0.636
RAL-THA-05e671eb-13
0.621
RAL-THA-05e671eb-3
0.621
RAL-THA-05e671eb-15
0.614
RAL-THA-05e671eb-14
0.611
EDJ-MED-e4b030d8-8
0.607
RAL-THA-05e671eb-29
0.607
RAL-THA-05e671eb-34
0.602
ALF-EVA-5b152d2f-1
0.600
ALF-EVA-5b152d2f-2
0.600
RAL-THA-05e671eb-18
0.582
MAK-UNK-3875bbc8-1
0.578
RAL-THA-05e671eb-21
0.575
RAL-THA-05e671eb-22
0.575
ALP-POS-ce760d3f-1
0.571
RAL-THA-05e671eb-35
0.571
ALP-POS-869ac754-2
0.568
PET-UNK-c0891748-2
0.567
RAL-THA-05e671eb-24
0.567
RAL-THA-05e671eb-23
0.567
ALP-POS-fe871b40-5
0.567
RAL-THA-05e671eb-25
0.567
PET-UNK-c0891748-8
0.567
EDJ-MED-12f7f543-1
0.567
EDJ-MED-e4b030d8-10
0.560
RAL-THA-05e671eb-16
0.560
ALP-UNI-3735e77e-2
0.560
ALP-POS-c86619f0-1
0.560
RAL-THA-05e671eb-27
0.560
RAL-THA-05e671eb-32
0.556
RAL-THA-05e671eb-28
0.554
EDJ-MED-e4b030d8-7
0.553
RAL-THA-05e671eb-30
0.553
MAT-POS-43fe65f4-1
0.553
DAR-DIA-6a508060-4
0.553
RAL-THA-05e671eb-19
0.553
VLA-UNK-9a7dc93f-4
0.553
EDJ-MED-e4b030d8-9
0.549
BEN-DND-4f474d93-1
0.549
BEN-DND-4f474d93-3
0.549
ALP-POS-ce760d3f-2
0.549
RAL-THA-05e671eb-33
0.549
RAL-THA-05e671eb-17
0.548
ALP-POS-ce760d3f-7
0.543
EDG-MED-5d232de5-2
0.543
ALP-POS-696356e4-1
0.543
EDG-MED-5d232de5-1
0.543
RAL-THA-05e671eb-26
0.543
EDJ-MED-12c115cc-1
0.539
EDJ-MED-12c115cc-2
0.539
ALF-EVA-ced740bd-4
0.539
MAT-POS-bbbbc21a-2
0.539
MAT-POS-f7918075-2
0.539
RAL-THA-05e671eb-36
0.538
EDJ-MED-e4b030d8-5
0.537
ALF-EVA-5b152d2f-6
0.537
ALF-EVA-5b152d2f-4
0.532
PET-UNK-03fd2068-1
0.532
PET-UNK-6314f867-1
0.531
ALP-POS-fe871b40-1
0.531
RAL-THA-05e671eb-31
0.531
RAL-THA-05e671eb-20
0.531
LAU-MED-88a3970a-12
0.530
LAU-MED-88a3970a-13
0.530
DAR-DIA-0587064e-17
0.530
LAU-MED-88a3970a-11
0.530
LAU-MED-88a3970a-14
0.530
BEN-DND-4f474d93-2
0.527
BEN-DND-c852c98b-4
0.527
ALP-POS-ce760d3f-3
0.527
EDJ-MED-ba7e64f2-1
0.527
MAT-POS-5369c344-4
0.525
DAR-DIA-0587064e-12
0.525
PET-UNK-ee8352fa-4
0.521
MAT-POS-f9802937-7
0.521