Molecular Properties | |
SMILES: | CN(C)c1cc2c(NC(=O)Cc3cccc(Cl)c3)cncc2cc1F |
MW: | 357.1 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 45.23 |
cLogP: | 4.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-7279c968-9
PET-UNK-7279c968-7
PET-UNK-7279c968-3
PET-UNK-7279c968-8
PET-UNK-7279c968-5
PET-UNK-7279c968-1
PET-UNK-7279c968-6
PET-UNK-7279c968-2
PET-UNK-7279c968-4
PET-UNK-f9b7ae87-9
PET-UNK-f9b7ae87-6
PET-UNK-f9b7ae87-5
PET-UNK-f9b7ae87-3
PET-UNK-f9b7ae87-2
PET-UNK-f9b7ae87-4
PET-UNK-f9b7ae87-7
PET-UNK-f9b7ae87-1
PET-UNK-f9b7ae87-8
PET-UNK-19e211a9-10
PET-UNK-19e211a9-8
PET-UNK-19e211a9-7
PET-UNK-19e211a9-5
PET-UNK-19e211a9-3
PET-UNK-19e211a9-1
PET-UNK-19e211a9-6
PET-UNK-19e211a9-4
PET-UNK-19e211a9-2
PET-UNK-19e211a9-9
PET-UNK-81b485b5-27
PET-UNK-81b485b5-26
PET-UNK-81b485b5-25
PET-UNK-81b485b5-24
PET-UNK-81b485b5-23
PET-UNK-81b485b5-22
PET-UNK-81b485b5-20
PET-UNK-81b485b5-19
PET-UNK-81b485b5-18
PET-UNK-81b485b5-17
PET-UNK-81b485b5-16
PET-UNK-81b485b5-14
PET-UNK-81b485b5-12
PET-UNK-81b485b5-10
PET-UNK-81b485b5-8
PET-UNK-81b485b5-7
PET-UNK-81b485b5-6
PET-UNK-81b485b5-2
PET-UNK-81b485b5-15
PET-UNK-81b485b5-3
PET-UNK-81b485b5-1
PET-UNK-81b485b5-28
PET-UNK-81b485b5-21
PET-UNK-81b485b5-9
PET-UNK-81b485b5-5
PET-UNK-81b485b5-13
PET-UNK-81b485b5-11
PET-UNK-81b485b5-4
MAT-POS-29385cc1-1
0.684
PET-UNK-b38839dc-1
0.684
MAT-POS-29385cc1-2
0.650
PET-UNK-7fb4f80a-4
0.643
PET-UNK-d899bab6-3
0.637
PET-UNK-c6bcc80b-7
0.627
MAT-POS-90fd5f68-7
0.625
PET-UNK-d899bab6-1
0.625
MAT-POS-90fd5f68-25
0.625
MAT-POS-c20a539d-3
0.622
MAT-POS-c20a539d-2
0.620
JIN-POS-6dc588a4-11
0.615
PET-UNK-7fb4f80a-3
0.612
RUB-POS-1325a9ea-4
0.608
PET-UNK-b38839dc-2
0.598
MAT-POS-29385cc1-3
0.588
MAT-POS-90fd5f68-40
0.588
MAT-POS-c20a539d-6
0.588
MAT-POS-90fd5f68-21
0.583
MAT-POS-90fd5f68-3
0.583
MAT-POS-bb423b95-8
0.582
MAT-POS-90fd5f68-28
0.581
PET-UNK-8df914d1-1
0.573
EDJ-MED-00c1612e-1
0.573
MAT-POS-90fd5f68-39
0.571
PET-UNK-7fb4f80a-1
0.570
MAT-POS-90fd5f68-10
0.570
MAT-POS-90fd5f68-18
0.570
MAT-POS-90fd5f68-36
0.570
MAT-POS-c20a539d-1
0.566
MAT-POS-c20a539d-4
0.566
MAT-POS-90fd5f68-22
0.566
MAT-POS-c0609ef7-1
0.566
MAT-POS-90fd5f68-4
0.566
ADA-UCB-6c2cb422-1
0.564
MAT-POS-f7918075-5
0.562
MAT-POS-90fd5f68-37
0.561
MAT-POS-90fd5f68-38
0.561
MAT-POS-90fd5f68-41
0.560
PET-UNK-f4e47ebd-2
0.560
MAT-POS-90fd5f68-20
0.560
PET-UNK-f4e47ebd-1
0.560
MAT-POS-bb423b95-1
0.557
MAT-POS-90fd5f68-19
0.554
MAT-POS-90fd5f68-1
0.554
MAT-POS-90fd5f68-6
0.553
MAT-POS-90fd5f68-2
0.553
JIN-POS-6dc588a4-13
0.550
MAT-POS-c20a539d-5
0.548
PET-UNK-6314f867-2
0.548
MAT-POS-c20a539d-8
0.547
MAT-POS-90fd5f68-35
0.547
MAT-POS-90fd5f68-9
0.547
MAT-POS-90fd5f68-17
0.547
MAT-POS-90fd5f68-27
0.547
MAT-POS-90fd5f68-31
0.544
MAT-POS-90fd5f68-33
0.543
MAT-POS-90fd5f68-15
0.543
MAT-POS-90fd5f68-11
0.541
MAT-POS-90fd5f68-29
0.541
MAT-POS-90fd5f68-30
0.540
MAT-POS-90fd5f68-12
0.540
MAT-POS-90fd5f68-24
0.540
PET-UNK-7fb4f80a-2
0.540
MIC-UNK-9dc9fcd1-3
0.538
MAT-POS-90fd5f68-13
0.538
MIC-UNK-7574fcc6-1
0.537
MIC-UNK-fbef42b7-2
0.533
MIC-UNK-9dc9fcd1-5
0.533
MIC-UNK-9dc9fcd1-1
0.529
MAT-POS-c20a539d-7
0.528
MAT-POS-90fd5f68-23
0.528
EDJ-MED-c5ca5386-1
0.524
JIN-POS-6dc588a4-12
0.524
RUB-POS-1325a9ea-2
0.524
MIC-UNK-50cce87d-1
0.524
MAT-POS-29385cc1-4
0.524
MIC-UNK-fbef42b7-1
0.522
MAT-POS-90fd5f68-5
0.522
PET-UNK-7f7e354d-7
0.512
MAT-POS-90fd5f68-8
0.511
MIC-UNK-9dc9fcd1-2
0.511
MAK-UNK-ffc90da7-8
0.511
MIC-UNK-4fbd4db9-5
0.511
MIC-UNK-4fbd4db9-1
0.511
RUB-POS-1325a9ea-5
0.506
RUB-POS-1325a9ea-3
0.506
MIC-UNK-50cce87d-3
0.506
MAT-POS-90fd5f68-26
0.505
MIC-UNK-9dc9fcd1-4
0.505
MAT-POS-bb423b95-9
0.500
PET-UNK-8df914d1-3
0.500
RUB-POS-1325a9ea-15
0.500
PET-UNK-7279c968-9
0.500
MAK-UNK-ffc90da7-3
0.495
MAK-UNK-ffc90da7-5
0.495
MIC-UNK-4fbd4db9-3
0.495
PET-UNK-e274cad4-1
0.494
RUB-POS-1325a9ea-14
0.494
JIN-POS-6dc588a4-18
0.494