Molecular Properties | |
SMILES: | COc1cccc2c1C(C(=O)Nc1cncc3ccccc13)CCO2 |
MW: | 334.13 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 3.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
RAL-THA-05e671eb-34
0.711
RAL-THA-05e671eb-32
0.699
RAL-THA-05e671eb-33
0.690
RAL-THA-05e671eb-36
0.674
RAL-THA-05e671eb-30
0.670
RAL-THA-05e671eb-29
0.636
EDJ-MED-e4b030d8-8
0.636
RAL-THA-05e671eb-23
0.632
EDJ-MED-e4b030d8-10
0.625
RAL-THA-05e671eb-27
0.625
RAL-THA-05e671eb-28
0.618
RAL-THA-05e671eb-14
0.604
RAL-THA-05e671eb-1
0.593
RAL-THA-05e671eb-31
0.591
RAL-THA-05e671eb-12
0.589
RAL-THA-05e671eb-8
0.587
RAL-THA-05e671eb-13
0.578
RAL-THA-05e671eb-4
0.578
ADA-UCB-dc2b944c-7
0.578
ADA-UCB-dc2b944c-5
0.571
RAL-THA-05e671eb-5
0.571
EDJ-MED-e4b030d8-7
0.564
DAR-DIA-6a508060-4
0.564
RAL-THA-05e671eb-19
0.564
MAT-POS-43fe65f4-1
0.564
RAL-THA-05e671eb-3
0.560
RAL-THA-05e671eb-15
0.554
RAL-THA-05e671eb-21
0.551
RYA-UNI-6d7114fd-1
0.549
RAL-THA-05e671eb-2
0.549
ALP-POS-869ac754-1
0.549
RAL-THA-05e671eb-11
0.548
ALP-UNI-3735e77e-3
0.548
MAT-POS-b3e365b9-1
0.543
VLA-UCB-1dbca3b4-15
0.543
MAT-POS-f7918075-1
0.543
MAT-POS-b3e365b9-2
0.543
RAL-THA-05e671eb-9
0.543
DAR-DIA-6a508060-8
0.543
MAT-POS-11b63608-1
0.538
ALP-UNI-4b8a177c-1
0.538
RAL-THA-05e671eb-22
0.533
ALP-POS-869ac754-2
0.527
RAL-THA-05e671eb-24
0.527
EDJ-MED-e4b030d8-9
0.527
ALP-POS-fe871b40-9
0.526
ALP-POS-d91e0300-1
0.526
DAR-DIA-6a508060-3
0.526
MAT-POS-a13804f0-2
0.526
MAT-POS-a13804f0-3
0.526
RAL-THA-05e671eb-7
0.526
RAL-THA-05e671eb-10
0.526
RAL-THA-05e671eb-26
0.521
RAL-THA-05e671eb-6
0.521
RAL-THA-05e671eb-16
0.505
ALP-UNI-3735e77e-2
0.505
DAR-DIA-0587064e-12
0.505
MAT-POS-5369c344-4
0.505
FRA-DIA-0fa076fe-1
0.500
ALP-POS-ce760d3f-1
0.500
ALF-EVA-ced740bd-4
0.500
FRA-DIA-c7e803f4-1
0.500
DAR-DIA-0587064e-17
0.495
RAL-THA-05e671eb-18
0.495
EDJ-MED-12f7f543-1
0.495
PET-UNK-c0891748-8
0.495
RAL-THA-05e671eb-25
0.495
ALP-POS-fe871b40-5
0.495
PET-UNK-c0891748-2
0.495
ALP-POS-c86619f0-1
0.490
VLA-UCB-05e51b3f-11
0.486
VLA-UCB-50c39ae8-8
0.486
LAU-MED-88a3970a-13
0.481
LAU-MED-88a3970a-14
0.481
ALF-EVA-5b152d2f-1
0.480
RAL-THA-05e671eb-17
0.480
EDJ-MED-e4b030d8-4
0.476
LAU-MED-88a3970a-2
0.471
MAT-POS-5369c344-1
0.471
DAR-DIA-0587064e-15
0.471
LAU-MED-88a3970a-1
0.471
EDJ-MED-e4b030d8-5
0.470
VLA-UNK-9a7dc93f-4
0.470
ALF-EVA-5b152d2f-6
0.470
MAT-POS-2e8b2191-3
0.469
ADA-UCB-dc2b944c-16
0.469
MAT-POS-2e8b2191-2
0.469
EDJ-MED-12c115cc-2
0.468
EDJ-MED-12c115cc-1
0.468
MAT-POS-f7918075-2
0.468
MAT-POS-bbbbc21a-2
0.468
DAR-DIA-23e5a6a0-5
0.468
DAR-DIA-23e5a6a0-3
0.468
RAL-THA-05e671eb-20
0.465
ALP-POS-fe871b40-1
0.465
BEN-BAS-c2bc0d80-5
0.465
LAU-MED-88a3970a-4
0.462
LAU-MED-88a3970a-3
0.462
DAR-DIA-23e5a6a0-2
0.459
BEN-DND-d1eb1f41-18
0.459