Molecular Properties | |
SMILES: | N#Cc1c(Cl)ccc2c1C(C(=O)Nc1cncc3ccccc13)CCO2 |
MW: | 363.08 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 75.01 |
cLogP: | 4.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
EDJ-MED-e4b030d8-8
0.721
RAL-THA-05e671eb-29
0.721
RAL-THA-05e671eb-27
0.709
EDJ-MED-e4b030d8-10
0.709
RAL-THA-05e671eb-28
0.701
RAL-THA-05e671eb-30
0.678
RAL-THA-05e671eb-32
0.667
RAL-THA-05e671eb-36
0.663
RAL-THA-05e671eb-34
0.604
RAL-THA-05e671eb-33
0.604
RAL-THA-05e671eb-35
0.591
ALP-UNI-4b8a177c-1
0.581
DAR-DIA-6a508060-3
0.568
RAL-THA-05e671eb-7
0.568
RAL-THA-05e671eb-15
0.564
RAL-THA-05e671eb-2
0.559
RYA-UNI-6d7114fd-1
0.559
ALP-POS-869ac754-1
0.559
ALP-UNI-3735e77e-3
0.558
RAL-THA-05e671eb-11
0.558
MAT-POS-b3e365b9-2
0.553
EDJ-MED-e4b030d8-9
0.553
VLA-UCB-1dbca3b4-15
0.553
MAT-POS-f7918075-1
0.553
MAT-POS-b3e365b9-1
0.553
RAL-THA-05e671eb-21
0.543
ALP-POS-869ac754-2
0.538
RAL-THA-05e671eb-3
0.537
ADA-UCB-dc2b944c-7
0.537
RAL-THA-05e671eb-24
0.537
RAL-THA-05e671eb-4
0.537
RAL-THA-05e671eb-10
0.536
MAT-POS-a13804f0-3
0.536
RAL-THA-05e671eb-9
0.536
ALP-POS-fe871b40-9
0.536
MAT-POS-a13804f0-2
0.536
ALP-POS-d91e0300-1
0.536
RAL-THA-05e671eb-1
0.533
ADA-UCB-dc2b944c-5
0.531
RAL-THA-05e671eb-26
0.531
RAL-THA-05e671eb-5
0.531
RAL-THA-05e671eb-13
0.521
ALP-POS-fe871b40-1
0.520
RAL-THA-05e671eb-20
0.520
MAT-POS-11b63608-1
0.515
RAL-THA-05e671eb-12
0.515
PET-UNK-c0891748-8
0.505
EDJ-MED-12f7f543-1
0.505
PET-UNK-c0891748-2
0.505
RAL-THA-05e671eb-25
0.505
ALP-POS-fe871b40-5
0.505
DAR-DIA-6a508060-8
0.505
ALP-UNI-3735e77e-2
0.500
RAL-THA-05e671eb-6
0.500
RAL-THA-05e671eb-8
0.500
RAL-THA-05e671eb-16
0.500
VLA-UNK-8e76d113-2
0.495
VLA-UNK-9a7dc93f-4
0.495
ALP-POS-ce760d3f-1
0.495
FRA-DIA-0fa076fe-1
0.495
FRA-DIA-c7e803f4-1
0.495
ALF-EVA-5b152d2f-1
0.490
RAL-THA-05e671eb-14
0.485
VLA-UNK-8e76d113-1
0.481
EDJ-MED-e4b030d8-7
0.480
DAR-DIA-6a508060-4
0.480
MAT-POS-43fe65f4-1
0.480
RAL-THA-05e671eb-19
0.480
MAT-POS-f7918075-2
0.479
MAT-POS-bbbbc21a-2
0.479
EDJ-MED-12c115cc-1
0.479
RAL-THA-05e671eb-22
0.479
EDJ-MED-12c115cc-2
0.479
BEN-BAS-c2bc0d80-5
0.475
RAL-THA-05e671eb-17
0.475
RAL-THA-05e671eb-18
0.475
RAL-THA-05e671eb-23
0.475
BEN-DND-d1eb1f41-18
0.470
MAT-POS-5369c344-1
0.467
DAR-DIA-0587064e-15
0.467
ALF-EVA-5b152d2f-6
0.466
EDJ-MED-e4b030d8-5
0.466
MAT-POS-2e8b2191-3
0.465
FRA-DIA-0fa076fe-2
0.464
ALF-EVA-ced740bd-4
0.464
ALP-UNI-c3ef0aba-1
0.459
EDJ-MED-e4b030d8-4
0.458
LAU-MED-88a3970a-7
0.458
DAR-DIA-0587064e-12
0.458
MAT-POS-5369c344-4
0.458
LAU-MED-88a3970a-8
0.458
ALP-POS-c86619f0-1
0.455
VLA-UCB-05e51b3f-11
0.455
VLA-UCB-50c39ae8-8
0.455
LAU-MED-88a3970a-1
0.454
LAU-MED-88a3970a-2
0.454
MIC-UNK-08fa0751-1
0.454
LAU-MED-88a3970a-6
0.453
LAU-MED-88a3970a-5
0.453
ALP-POS-fe871b40-2
0.452