Molecular Properties | |
SMILES: | O=C(Nc1cncc2cc(CN3CCNCC3)ccc12)[C@@H]1COc2ccc(Cl)cc21 |
MW: | 422.15 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 66.49 |
cLogP: | 3.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-12c115cc-1
MAK-UNK-8be7dca9-1
0.792
ERI-UCB-8d4e5055-1
0.792
ERI-UCB-b3e6b0c2-6
0.760
ERI-UCB-b3e6b0c2-10
0.696
ERI-UCB-b3e6b0c2-13
0.686
ERI-UCB-8d4e5055-6
0.620
MAT-POS-7ddaf7de-3
0.620
ERI-UCB-8d4e5055-2
0.607
MAT-POS-8695a11f-2
0.607
MAT-POS-f7918075-2
0.579
MAT-POS-bbbbc21a-2
0.579
EDJ-MED-12c115cc-1
0.579
EDJ-MED-12c115cc-2
0.579
ERI-UCB-b3e6b0c2-15
0.571
ERI-UCB-b3e6b0c2-1
0.554
ALP-POS-82da25a3-1
0.544
ALF-EVA-5b152d2f-8
0.543
MAT-POS-7ddaf7de-1
0.540
JAG-UCB-571deb56-3
0.540
MAK-UNK-8be7dca9-5
0.538
MAR-UCB-6ab2ec87-5
0.535
MAK-UNK-8be7dca9-2
0.528
JAG-UCB-571deb56-5
0.519
JAG-UCB-571deb56-4
0.518
JAG-UCB-571deb56-2
0.514
ERI-UCB-b3e6b0c2-4
0.509
ERI-UCB-b3e6b0c2-5
0.504
ERI-UCB-b3e6b0c2-7
0.500
ALF-EVA-a24cc7ce-1
0.500
MAK-UNK-83e0a0b4-2
0.496
JAG-UCB-571deb56-1
0.496
JAG-UCB-571deb56-6
0.491
JAG-UCB-a3ef7265-3
0.485
MAK-UNK-8be7dca9-9
0.481
PET-UNK-03fd2068-1
0.481
JAG-UCB-571deb56-7
0.475
MAK-UNK-8be7dca9-4
0.474
MAT-POS-86c60949-3
0.471
ERI-UCB-8d4e5055-5
0.471
ERI-UCB-8d4e5055-3
0.468
PET-UNK-6314f867-1
0.468
MAT-POS-7ddaf7de-2
0.468
MAT-POS-1ecf5680-1
0.464
ERI-UCB-b3e6b0c2-12
0.464
TET-ENA-382364b7-1
0.459
MAT-POS-1ecf5680-2
0.451
ALF-EVA-5b152d2f-5
0.450
ERI-UCB-b3e6b0c2-11
0.445
EDJ-MED-41558c53-5
0.441
MAT-POS-b3e365b9-1
0.439
BEN-DND-4f474d93-3
0.439
ALP-POS-ce760d3f-2
0.439
ALF-EVA-a24cc7ce-4
0.439
VLA-UCB-1dbca3b4-15
0.439
BEN-DND-4f474d93-1
0.439
MAT-POS-f7918075-1
0.439
MAT-POS-b3e365b9-2
0.439
WIL-UCB-7ba4ac3a-1
0.436
ALP-POS-82da25a3-2
0.432
ERI-UCB-b3e6b0c2-18
0.430
ALF-EVA-ced740bd-4
0.429
RUB-POS-1325a9ea-10
0.429
ALF-EVA-5b152d2f-1
0.427
MAK-UNK-8be7dca9-8
0.425
EDJ-MED-41558c53-9
0.423
PET-UNK-b38839dc-5
0.421
PET-UNK-c671f938-6
0.420
PET-UNK-c671f938-2
0.420
ALF-EVA-ced740bd-3
0.419
PET-UNK-b38839dc-4
0.417
ALF-EVA-a24cc7ce-8
0.417
PET-UNK-3324058f-2
0.417
PET-UNK-3324058f-6
0.417
ALP-POS-1460fd94-1
0.415
EDJ-MED-0186a59b-6
0.414
LUO-POS-74179f4f-1
0.414
LUO-POS-edefcc0e-1
0.414
JAG-UCB-c61058a9-27
0.413
EDG-MED-e300b289-3
0.413
PET-UNK-b1ef24dc-7
0.413
ALF-EVA-5b152d2f-3
0.413
EDJ-MED-41558c53-6
0.413
PET-UNK-ee8352fa-5
0.412
EDG-MED-e300b289-1
0.412
MAK-UNK-8be7dca9-7
0.411
EDJ-MED-4f4dd660-5
0.409
BEN-DND-4f474d93-2
0.409
ALP-POS-ce760d3f-7
0.409
EDG-MED-5d232de5-2
0.409
EDJ-MED-ba7e64f2-1
0.409
EDG-MED-5d232de5-1
0.409
PET-UNK-b38839dc-3
0.409
ALP-POS-696356e4-1
0.409
BEN-DND-c852c98b-4
0.409
ALP-POS-ce760d3f-3
0.409
EDJ-MED-41558c53-11
0.409
PET-UNK-f4e47ebd-4
0.409
EDJ-MED-f9b78f78-5
0.407
ERI-UCB-8d4e5055-4
0.407
BEN-DND-c852c98b-5
0.407