Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3cc(F)c(N(C)C)cc23)CCOc2c(F)cc(Cl)cc21 |
MW: | 447.12 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 63.69 |
cLogP: | 4.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-a7639856-3
PET-UNK-a7639856-1
PET-UNK-7f7e354d-7
RAL-THA-05e671eb-17
JIN-POS-6dc588a4-22
RUB-POS-1325a9ea-12
EDJ-MED-37aac4bd-4
EDG-MED-10fcb19e-1
PET-UNK-a7639856-2
PET-UNK-f4e47ebd-2
PET-UNK-d899bab6-2
PET-UNK-b38839dc-1
RAL-THA-2d450e86-14
RUB-POS-1325a9ea-14
MAT-POS-96f51285-2
PET-UNK-f4e47ebd-1
JIN-POS-6dc588a4-11
PET-UNK-81b485b5-22
1.000
PET-UNK-81b485b5-7
0.763
PET-UNK-81b485b5-21
0.763
PET-UNK-81b485b5-24
0.724
PET-UNK-81b485b5-10
0.724
PET-UNK-81b485b5-20
0.698
PET-UNK-81b485b5-6
0.698
PET-UNK-81b485b5-1
0.695
PET-UNK-81b485b5-15
0.695
PET-UNK-ee8352fa-2
0.691
PET-UNK-81b485b5-14
0.684
PET-UNK-81b485b5-28
0.684
PET-UNK-81b485b5-11
0.680
PET-UNK-81b485b5-25
0.680
PET-UNK-81b485b5-13
0.677
PET-UNK-81b485b5-27
0.677
PET-UNK-81b485b5-26
0.663
PET-UNK-81b485b5-12
0.663
PET-UNK-81b485b5-9
0.644
PET-UNK-81b485b5-23
0.644
PET-UNK-81b485b5-19
0.643
PET-UNK-81b485b5-5
0.643
PET-UNK-81b485b5-4
0.620
PET-UNK-81b485b5-18
0.620
PET-UNK-81b485b5-3
0.614
PET-UNK-81b485b5-17
0.614
PET-UNK-81b485b5-2
0.610
PET-UNK-81b485b5-16
0.610
PET-UNK-7bb24635-2
0.590
PET-UNK-a7639856-3
0.569
PET-UNK-f9b7ae87-9
0.566
EDJ-MED-37aac4bd-4
0.529
MAT-POS-932d1078-2
0.529
MAT-POS-932d1078-3
0.529
PET-UNK-b38839dc-19
0.523
PET-UNK-a7639856-2
0.509
ALP-POS-fe871b40-3
0.495
PET-UNK-329a9ce9-8
0.491
PET-UNK-09a29654-6
0.487
PET-UNK-5d7c542f-1
0.486
ALP-POS-6f6ae286-3
0.486
EDJ-MED-611d11e7-4
0.486
MAT-POS-a5ef2d74-2
0.486
MAT-POS-ec6d90b7-4
0.486
PET-UNK-ee8352fa-3
0.477
PET-UNK-e9bc7c59-9
0.475
PET-UNK-ee8352fa-1
0.473
PET-UNK-e9bc7c59-12
0.471
PET-UNK-b38839dc-20
0.468
PET-UNK-b78139fa-15
0.467
PET-UNK-5d7c542f-2
0.464
EDJ-MED-d08626de-1
0.463
EDJ-MED-d08626de-2
0.463
PET-UNK-29afea89-2
0.463
EDG-MED-0e5afe9d-3
0.463
ALP-POS-93b3621f-4
0.460
PET-UNK-4b4f2bb7-7
0.459
PET-UNK-03fd2068-8
0.455
PET-UNK-a7639856-1
0.452
ALF-EVA-82cf4849-11
0.452
MAT-POS-993cdc78-1
0.450
MAT-POS-993cdc78-2
0.450
PET-UNK-03fd2068-7
0.450
ALP-POS-fe871b40-11
0.450
EDJ-MED-1b46f08e-1
0.448
EDJ-MED-93390d0c-3
0.447
ALP-POS-93b3621f-3
0.447
MAT-POS-24589f88-1
0.446
EDJ-MED-611d11e7-7
0.446
MAT-POS-96f51285-1
0.446
PET-UNK-f4e47ebd-19
0.446
EDJ-MED-611d11e7-1
0.442
MAT-POS-96f51285-2
0.442
PET-UNK-f4e47ebd-18
0.442
PET-UNK-ee8352fa-5
0.441
EDJ-MED-6bf93aa8-1
0.440
EDG-MED-10fcb19e-2
0.440
PET-UNK-f4e47ebd-22
0.439
MIC-UNK-7f86385f-5
0.438
PET-UNK-f4e47ebd-21
0.438
PET-UNK-c0891748-7
0.436
EDJ-MED-37aac4bd-5
0.436
ALP-POS-fe871b40-7
0.436
PET-UNK-c0891748-1
0.436
MIC-UNK-7f86385f-1
0.436
PET-UNK-f4e47ebd-23
0.435
PET-UNK-f4e47ebd-17
0.432
EDJ-MED-611d11e7-10
0.432
MAT-POS-a5ef2d74-3
0.432
EDG-MED-10fcb19e-5
0.432
PET-UNK-329a9ce9-7
0.432
EDJ-MED-93390d0c-4
0.431
ALF-EVA-82cf4849-8
0.431
MIC-UNK-7f86385f-4
0.430
MIC-UNK-7f86385f-3
0.430
ALF-EVA-82cf4849-4
0.429
ALF-EVA-82cf4849-12
0.429
MIC-UNK-7f86385f-2
0.429
EDG-MED-10fcb19e-3
0.427
EDG-MED-10fcb19e-1
0.427