Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cnccc23)CCOc2cc(F)c(Cl)cc21 |
MW: | 387.08 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 73.34 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-ce760d3f-3
MAT-POS-a5ef2d74-1
BEN-DND-4f474d93-1
EDJ-MED-00c1612e-1
EDJ-MED-670ad2ee-2
ADA-UCB-6c2cb422-1
MAT-POS-64942dd0-3
MAT-POS-dd3ad2b5-4
RAL-THA-2d450e86-6
PET-UNK-29afea89-2
EDJ-MED-611d11e7-10
EDJ-MED-611d11e7-12
MAT-POS-a5ef2d74-3
PET-UNK-9bf1291a-1
BEN-DND-4f474d93-2
MAT-POS-a13804f0-3
MAT-POS-b3e365b9-1
MAT-POS-bb423b95-1
MAT-POS-fc9ede84-1
PET-UNK-f4e47ebd-20
0.764
MAT-POS-993cdc78-1
0.753
MAT-POS-993cdc78-2
0.753
ALP-POS-fe871b40-11
0.753
PET-UNK-03fd2068-8
0.736
EDJ-MED-93390d0c-3
0.720
PET-UNK-03fd2068-7
0.714
PET-UNK-f4e47ebd-23
0.702
EDJ-MED-93390d0c-4
0.677
PET-UNK-f4e47ebd-22
0.674
EDJ-MED-37aac4bd-1
0.600
MAT-POS-78e1d523-3
0.600
EDJ-MED-d08626de-3
0.600
MAT-POS-78e1d523-4
0.600
EDJ-MED-d08626de-4
0.600
EDJ-MED-d08626de-5
0.600
VLA-UNK-a5257d84-1
0.561
PET-UNK-f4e47ebd-28
0.543
EDJ-MED-611d11e7-10
0.540
PET-UNK-f4e47ebd-17
0.540
MAT-POS-a5ef2d74-3
0.540
ALP-POS-6f6ae286-3
0.539
PET-UNK-5d7c542f-1
0.539
PET-UNK-4b4f2bb7-9
0.535
EDJ-MED-d08626de-1
0.530
EDJ-MED-d08626de-2
0.530
PET-UNK-29afea89-2
0.530
EDG-MED-0e5afe9d-3
0.530
MAT-POS-ec6d90b7-4
0.525
MAT-POS-a5ef2d74-2
0.525
EDJ-MED-611d11e7-4
0.525
PET-UNK-b78139fa-18
0.515
PET-UNK-b566c0b0-5
0.510
ALP-POS-93b3621f-4
0.509
PET-UNK-b38839dc-19
0.505
PET-UNK-f4e47ebd-18
0.505
ALP-POS-fe871b40-12
0.500
PET-UNK-5d7c542f-2
0.500
EDJ-MED-6bf93aa8-1
0.500
PET-UNK-ee8352fa-2
0.500
PET-UNK-ee8352fa-3
0.500
MIC-UNK-ea4eb352-11
0.500
NIR-THE-3fc2bec4-1
0.500
MIC-UNK-7f86385f-1
0.495
EDJ-MED-1b46f08e-1
0.495
MAT-POS-96f51285-1
0.495
EDJ-MED-611d11e7-7
0.495
MAT-POS-24589f88-1
0.495
MIC-UNK-ea4eb352-12
0.495
PET-UNK-a7639856-2
0.491
PET-UNK-b38839dc-20
0.491
MIC-UNK-7f86385f-2
0.486
ALF-EVA-82cf4849-11
0.486
EDG-MED-10fcb19e-2
0.486
ALP-POS-93b3621f-3
0.481
PET-UNK-ee8352fa-1
0.481
PET-UNK-f4e47ebd-19
0.481
PET-UNK-f4e47ebd-6
0.480
EDG-MED-10fcb19e-5
0.477
PET-UNK-f4e47ebd-24
0.477
EDJ-MED-611d11e7-1
0.477
MAT-POS-96f51285-2
0.477
MIC-UNK-7f86385f-3
0.474
MIC-UNK-7f86385f-4
0.474
PET-UNK-81b485b5-1
0.472
PET-UNK-81b485b5-15
0.472
MAR-UCB-fd2e172f-24
0.471
PET-UNK-0df12184-5
0.471
MIC-UNK-7f86385f-5
0.470
PET-UNK-a7639856-3
0.469
ALF-EVA-82cf4849-8
0.464
PET-UNK-81b485b5-6
0.463
PET-UNK-81b485b5-20
0.463
JOH-UNI-6e27fddc-1
0.462
PET-UNK-b38839dc-18
0.462
PET-UNK-0df12184-2
0.462
MAR-UCB-fd2e172f-41
0.462
ALF-EVA-82cf4849-12
0.460
EDG-MED-10fcb19e-3
0.459
EDJ-MED-946e547c-1
0.459
EDG-MED-10fcb19e-1
0.459
PET-UNK-a7639856-1
0.459
PET-UNK-c761fc18-5
0.457
MAR-UCB-fd2e172f-25
0.457
EDJ-MED-ee742daa-1
0.456
ALF-EVA-82cf4849-13
0.455
PET-UNK-0df12184-1
0.453
MAT-POS-932d1078-3
0.453
EDJ-MED-37aac4bd-4
0.453
MAT-POS-932d1078-2
0.453
PET-UNK-81b485b5-13
0.450
PET-UNK-81b485b5-27
0.450
MIC-UNK-ea4eb352-9
0.450
MAR-UCB-fd2e172f-20
0.449
MAR-UCB-fd2e172f-31
0.449
ALP-POS-fe871b40-7
0.443
PET-UNK-c0891748-1
0.443
PET-UNK-0df12184-4
0.443
PET-UNK-c0891748-7
0.443
EDJ-MED-37aac4bd-5
0.443