Molecular Properties | |
SMILES: | N#Cc1cccc2c1OCCC2C(=O)Nc1cncc2ccccc12 |
MW: | 329.12 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 75.01 |
cLogP: | 3.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
ALP-POS-fe871b40-1
0.698
RAL-THA-05e671eb-20
0.698
RAL-THA-05e671eb-22
0.679
RAL-THA-05e671eb-21
0.679
VLA-UNK-9a7dc93f-4
0.667
RAL-THA-05e671eb-23
0.647
RAL-THA-05e671eb-15
0.640
RAL-THA-05e671eb-36
0.632
ALP-POS-869ac754-2
0.631
ALP-POS-ce760d3f-1
0.614
RAL-THA-05e671eb-1
0.607
DAR-DIA-6a508060-3
0.607
RAL-THA-05e671eb-7
0.607
EDJ-MED-12f7f543-1
0.591
PET-UNK-c0891748-8
0.591
RAL-THA-05e671eb-3
0.591
RAL-THA-05e671eb-25
0.591
ALP-POS-fe871b40-5
0.591
PET-UNK-c0891748-2
0.591
ALP-UNI-3735e77e-2
0.584
RAL-THA-05e671eb-12
0.584
RAL-THA-05e671eb-16
0.584
ALP-POS-c86619f0-1
0.584
RAL-THA-05e671eb-2
0.580
ALP-POS-869ac754-1
0.580
RYA-UNI-6d7114fd-1
0.580
RAL-THA-05e671eb-13
0.573
RAL-THA-05e671eb-18
0.571
RAL-THA-05e671eb-17
0.571
RAL-THA-05e671eb-5
0.567
ADA-UCB-dc2b944c-5
0.567
RAL-THA-05e671eb-14
0.565
ALP-UNI-3735e77e-3
0.560
RAL-THA-05e671eb-11
0.560
MAT-POS-43fe65f4-1
0.559
EDJ-MED-e4b030d8-5
0.559
EDJ-MED-e4b030d8-7
0.559
DAR-DIA-6a508060-4
0.559
RAL-THA-05e671eb-19
0.559
MAT-POS-f7918075-1
0.556
MAT-POS-b3e365b9-2
0.556
MAT-POS-b3e365b9-1
0.556
ADA-UCB-dc2b944c-7
0.556
RAL-THA-05e671eb-4
0.556
VLA-UCB-1dbca3b4-15
0.556
ALP-POS-d91e0300-1
0.554
MAT-POS-a13804f0-2
0.554
MAT-POS-a13804f0-3
0.554
RAL-THA-05e671eb-10
0.554
RAL-THA-05e671eb-9
0.554
ALP-POS-fe871b40-9
0.554
MAT-POS-11b63608-1
0.549
RAL-THA-05e671eb-8
0.548
LAU-MED-88a3970a-5
0.542
LAU-MED-88a3970a-6
0.542
MAT-POS-5369c344-1
0.541
DAR-DIA-0587064e-15
0.541
DAR-DIA-6a508060-8
0.538
RAL-THA-05e671eb-31
0.537
ALP-UNI-4b8a177c-1
0.533
RAL-THA-05e671eb-6
0.532
LAU-MED-88a3970a-7
0.531
DAR-DIA-0587064e-12
0.531
LAU-MED-88a3970a-8
0.531
EDJ-MED-e4b030d8-4
0.531
MAT-POS-5369c344-4
0.531
FRA-DIA-c7e803f4-1
0.529
FRA-DIA-0fa076fe-1
0.529
RAL-THA-05e671eb-32
0.527
RAL-THA-05e671eb-29
0.527
RAL-THA-05e671eb-35
0.527
EDJ-MED-e4b030d8-8
0.527
ALP-POS-fe871b40-2
0.526
LAU-MED-88a3970a-2
0.525
LAU-MED-88a3970a-10
0.525
LAU-MED-88a3970a-16
0.525
LAU-MED-88a3970a-17
0.525
LAU-MED-88a3970a-1
0.525
LAU-MED-88a3970a-15
0.525
LAU-MED-88a3970a-18
0.525
MIC-UNK-08fa0751-1
0.525
LAU-MED-88a3970a-9
0.525
DAR-DIA-6a508060-5
0.525
RAL-THA-05e671eb-34
0.522
RAL-THA-05e671eb-33
0.522
LAU-MED-88a3970a-12
0.520
LAU-MED-88a3970a-13
0.520
LAU-MED-88a3970a-11
0.520
LAU-MED-88a3970a-14
0.520
DAR-DIA-0587064e-17
0.520
LAU-MED-88a3970a-3
0.515
LAU-MED-88a3970a-4
0.515
DAR-DIA-0587064e-19
0.515
MAT-POS-5369c344-3
0.515
VLA-UNK-8e76d113-2
0.510
VLA-UCB-50c39ae8-8
0.510
VLA-UCB-05e51b3f-11
0.510
BEN-BAS-c2bc0d80-5
0.505
FRA-DIA-b66f7109-3
0.505
DAR-DIA-0587064e-22
0.505