Molecular Properties | |
SMILES: | Cc1cccc2c1C(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-32
0.716
RAL-THA-05e671eb-35
0.711
RAL-THA-05e671eb-33
0.707
RAL-THA-05e671eb-36
0.690
RAL-THA-05e671eb-29
0.671
EDJ-MED-e4b030d8-8
0.671
RAL-THA-05e671eb-27
0.640
EDJ-MED-e4b030d8-10
0.640
RAL-THA-05e671eb-28
0.632
RAL-THA-05e671eb-30
0.629
RAL-THA-05e671eb-1
0.607
RAL-THA-05e671eb-31
0.604
RAL-THA-05e671eb-5
0.602
ADA-UCB-dc2b944c-5
0.602
RAL-THA-05e671eb-12
0.602
RAL-THA-05e671eb-4
0.573
EDJ-MED-e4b030d8-9
0.573
ADA-UCB-dc2b944c-7
0.573
RAL-THA-05e671eb-9
0.571
ALP-UNI-4b8a177c-1
0.567
MAT-POS-b3e365b9-1
0.556
RAL-THA-05e671eb-3
0.556
RAL-THA-05e671eb-13
0.556
VLA-UCB-1dbca3b4-15
0.556
MAT-POS-b3e365b9-2
0.556
MAT-POS-f7918075-1
0.556
MAT-POS-11b63608-1
0.549
RAL-THA-05e671eb-15
0.549
RAL-THA-05e671eb-14
0.548
RAL-THA-05e671eb-8
0.548
RAL-THA-05e671eb-21
0.545
RAL-THA-05e671eb-22
0.545
RAL-THA-05e671eb-2
0.544
RYA-UNI-6d7114fd-1
0.544
ALP-POS-869ac754-1
0.544
ALP-UNI-3735e77e-3
0.543
RAL-THA-05e671eb-11
0.543
RAL-THA-05e671eb-18
0.538
DAR-DIA-6a508060-3
0.538
RAL-THA-05e671eb-7
0.538
DAR-DIA-6a508060-8
0.538
RAL-THA-05e671eb-26
0.533
RAL-THA-05e671eb-6
0.532
ALP-POS-869ac754-2
0.522
RAL-THA-05e671eb-24
0.522
RAL-THA-05e671eb-23
0.522
MAT-POS-a13804f0-2
0.521
MAT-POS-a13804f0-3
0.521
ALP-POS-fe871b40-9
0.521
ALP-POS-d91e0300-1
0.521
RAL-THA-05e671eb-10
0.521
ALP-POS-ce760d3f-1
0.495
ALF-EVA-ced740bd-4
0.495
FRA-DIA-0fa076fe-1
0.494
FRA-DIA-c7e803f4-1
0.494
ALF-EVA-5b152d2f-1
0.490
EDJ-MED-12f7f543-1
0.489
PET-UNK-c0891748-8
0.489
ALP-POS-fe871b40-5
0.489
RAL-THA-05e671eb-25
0.489
PET-UNK-c0891748-2
0.489
ALP-UNI-3735e77e-2
0.484
RAL-THA-05e671eb-16
0.484
ALP-POS-c86619f0-1
0.484
EDJ-MED-e4b030d8-7
0.480
DAR-DIA-6a508060-4
0.480
ALF-EVA-5b152d2f-6
0.480
MAT-POS-43fe65f4-1
0.480
RAL-THA-05e671eb-19
0.480
EDJ-MED-12c115cc-1
0.478
EDJ-MED-12c115cc-2
0.478
MAT-POS-f7918075-2
0.478
MAT-POS-bbbbc21a-2
0.478
BEN-BAS-c2bc0d80-5
0.474
RAL-THA-05e671eb-17
0.474
DAR-DIA-0587064e-12
0.471
MAT-POS-5369c344-4
0.471
EDJ-MED-e4b030d8-5
0.465
VLA-UNK-9a7dc93f-4
0.465
MAT-POS-2e8b2191-3
0.464
ALP-POS-fe871b40-1
0.460
RAL-THA-05e671eb-20
0.460
BEN-DND-d1eb1f41-18
0.454
LAU-MED-88a3970a-9
0.452
LAU-MED-88a3970a-10
0.452
LAU-MED-88a3970a-17
0.452
LAU-MED-88a3970a-18
0.452
MIC-UNK-08fa0751-1
0.452
LAU-MED-88a3970a-5
0.451
LAU-MED-88a3970a-6
0.451
PET-UNK-c0891748-4
0.449
ADA-UCB-dc2b944c-16
0.449
MAT-POS-2e8b2191-2
0.449
DAR-DIA-0d514e7d-3
0.449
PET-UNK-c0891748-10
0.449
ADA-UCB-dc2b944c-15
0.449
DAR-DIA-0587064e-17
0.448
LAU-MED-88a3970a-11
0.448
LAU-MED-88a3970a-13
0.448
LAU-MED-88a3970a-12
0.448