Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cn[nH]c23)CCOc2c(F)cc(Cl)cc21 |
MW: | 376.07 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 89.13 |
cLogP: | 3.01 |
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-81b485b5-16
1.000
PET-UNK-81b485b5-1
0.642
PET-UNK-81b485b5-15
0.642
PET-UNK-81b485b5-3
0.629
PET-UNK-81b485b5-6
0.629
PET-UNK-81b485b5-20
0.629
PET-UNK-81b485b5-17
0.629
PET-UNK-81b485b5-21
0.622
PET-UNK-81b485b5-7
0.622
PET-UNK-81b485b5-14
0.616
PET-UNK-81b485b5-28
0.616
PET-UNK-81b485b5-8
0.610
PET-UNK-81b485b5-22
0.610
PET-UNK-81b485b5-13
0.610
PET-UNK-81b485b5-27
0.610
PET-UNK-81b485b5-5
0.608
PET-UNK-81b485b5-19
0.608
PET-UNK-81b485b5-12
0.598
PET-UNK-81b485b5-26
0.598
PET-UNK-81b485b5-10
0.592
PET-UNK-81b485b5-24
0.592
PET-UNK-81b485b5-4
0.586
PET-UNK-81b485b5-18
0.586
PET-UNK-81b485b5-9
0.581
PET-UNK-81b485b5-23
0.581
PET-UNK-81b485b5-25
0.570
PET-UNK-81b485b5-11
0.570
PET-UNK-f9b7ae87-2
0.525
EDJ-MED-37aac4bd-4
0.481
MAT-POS-932d1078-3
0.481
MAT-POS-932d1078-2
0.481
ALP-POS-fe871b40-3
0.463
EDJ-MED-ee742daa-3
0.438
PET-UNK-5d7c542f-1
0.414
ALP-POS-6f6ae286-3
0.414
MAT-POS-a5ef2d74-2
0.413
EDJ-MED-611d11e7-4
0.413
MAT-POS-ec6d90b7-4
0.413
PET-UNK-c761fc18-5
0.404
PET-UNK-29afea89-2
0.404
EDG-MED-0e5afe9d-3
0.404
EDJ-MED-d08626de-1
0.404
EDJ-MED-d08626de-2
0.404
PET-UNK-0df12184-3
0.400
PET-UNK-b38839dc-19
0.398
ALF-EVA-82cf4849-11
0.397
PET-UNK-ee8352fa-2
0.395
PET-UNK-f4e47ebd-21
0.393
MAT-POS-993cdc78-2
0.393
MAT-POS-993cdc78-1
0.393
ALP-POS-fe871b40-11
0.393
ALP-POS-93b3621f-4
0.391
MAR-UCB-fd2e172f-25
0.391
PET-UNK-0df12184-4
0.391
PET-UNK-c0891748-7
0.391
EDJ-MED-37aac4bd-5
0.391
PET-UNK-c0891748-1
0.391
ALP-POS-fe871b40-7
0.391
PET-UNK-a7639856-2
0.388
EDJ-MED-611d11e7-10
0.387
MAT-POS-a5ef2d74-3
0.387
PET-UNK-f4e47ebd-17
0.387
PET-UNK-03fd2068-8
0.386
MAR-UCB-fd2e172f-20
0.384
JOH-UNI-6e27fddc-1
0.384
PET-UNK-c761fc18-1
0.384
PET-UNK-a7639856-3
0.383
ALP-POS-5de921e7-1
0.383
PET-UNK-5d7c542f-2
0.383
PET-UNK-03fd2068-7
0.381
EDJ-MED-93390d0c-3
0.379
ALP-POS-93b3621f-3
0.379
EDG-MED-10fcb19e-5
0.378
EDJ-MED-611d11e7-7
0.377
PET-UNK-f4e47ebd-19
0.377
MAT-POS-96f51285-1
0.377
PET-UNK-f4e47ebd-20
0.377
MAT-POS-24589f88-1
0.377
PET-UNK-ee8352fa-1
0.377
MIC-UNK-7f86385f-4
0.377
EDJ-MED-ee742daa-1
0.376
PET-UNK-c761fc18-7
0.375
MAT-POS-d8472c4f-3
0.375
MIC-UNK-ea4eb352-3
0.375
MAR-UCB-fd2e172f-27
0.375
MIC-UNK-7f86385f-5
0.374
PET-UNK-f4e47ebd-18
0.374
EDJ-MED-611d11e7-1
0.374
MAT-POS-96f51285-2
0.374
PET-UNK-b38839dc-20
0.374
EDG-MED-10fcb19e-2
0.373
EDJ-MED-6bf93aa8-1
0.373
MAR-UCB-fd2e172f-21
0.373
MAR-UCB-fd2e172f-31
0.372
ALF-EVA-82cf4849-4
0.372
PET-UNK-f4e47ebd-22
0.371
PET-UNK-ee8352fa-3
0.371
EDJ-MED-1b46f08e-1
0.370
MIC-UNK-7f86385f-1
0.370
MAR-UCB-fd2e172f-41
0.369