Molecular Properties | |
SMILES: | CN1Cc2ccc(Cl)cc2[C@]2(CC(=O)N(c3cncc4ccccc34)C2=O)C1 |
MW: | 391.11 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 53.51 |
cLogP: | 3.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
MAT-POS-1bed62cf-3
JOH-MSK-51c67e7d-2
1.000
MAT-POS-1bed62cf-3
0.691
JOH-MSK-1f2dff76-1
0.691
JOH-MSK-1f2dff76-2
0.691
PET-UNK-94036022-5
0.653
PET-UNK-94036022-12
0.653
PET-UNK-94036022-4
0.640
PET-UNK-94036022-11
0.640
PET-UNK-77d5678a-1
0.640
PET-UNK-77d5678a-4
0.640
MAT-POS-1bed62cf-1
0.627
LUO-POS-868e8996-9
0.627
LUO-POS-868e8996-10
0.627
JOH-MSK-1f2dff76-4
0.613
JOH-MSK-1f2dff76-3
0.613
12_-111-3e02a1cd-2
0.567
PET-UNK-77d5678a-3
0.567
JOH-MSK-4bb3d434-2
0.567
PET-UNK-77d5678a-6
0.567
PET-UNK-626a1084-2
0.564
PET-UNK-626a1084-4
0.564
PET-UNK-626a1084-1
0.564
PET-UNK-626a1084-3
0.564
MAT-POS-1bed62cf-2
0.558
LUO-POS-868e8996-7
0.558
LUO-POS-868e8996-8
0.558
BEN-BAS-c2bc0d80-6
0.541
MAT-POS-94643566-1
0.541
VLA-UCB-50c39ae8-2
0.541
VLA-UCB-05e51b3f-5
0.541
PET-UNK-eeb64427-1
0.538
PET-UNK-eeb64427-4
0.538
PET-UNK-6af7266d-2
0.538
PET-UNK-6af7266d-4
0.538
12_-111-3e02a1cd-1
0.528
PET-UNK-77d5678a-2
0.528
PET-UNK-77d5678a-5
0.528
VLA-UNK-70dd90ef-3
0.515
VLA-UNK-3a43cd95-4
0.510
EDJ-MED-7587a9ee-1
0.505
MAT-POS-2e8b2191-8
0.505
PET-UNK-eeb64427-2
0.500
PET-UNK-eeb64427-5
0.500
PET-UNK-eeb64427-3
0.495
PET-UNK-eeb64427-6
0.495
MAT-POS-ddfe83c6-5
0.495
PET-UNK-143b31ee-4
0.491
PET-UNK-143b31ee-1
0.491
PET-UNK-df7eb4e6-2
0.486
PET-UNK-df7eb4e6-6
0.486
VLA-UNK-ba665ac8-2
0.486
VLA-UNK-3a43cd95-3
0.485
EDJ-MED-7587a9ee-3
0.481
VLA-UNK-c65c1026-2
0.480
VLA-UNK-c65c1026-3
0.480
MIC-UNK-eb20c3e1-1
0.477
LUO-POS-ed2cfb03-1
0.477
ALP-POS-c3a90b22-6
0.473
PET-UNK-94036022-7
0.472
PET-UNK-94036022-14
0.472
LUO-POS-e1dab717-19
0.472
VLA-UNK-c65c1026-4
0.470
LUO-POS-ed2cfb03-2
0.467
VLA-UCB-05e51b3f-6
0.467
VLA-UCB-50c39ae8-3
0.467
EDJ-MED-cbbe2dbb-3
0.464
MIC-UNK-eb20c3e1-4
0.464
MAT-POS-566864e2-3
0.464
MAT-POS-566864e2-4
0.464
LUO-POS-e1dab717-1
0.464
ALP-POS-ecbed2ba-7
0.464
MAT-POS-576f7758-1
0.464
MAT-POS-69786b79-1
0.464
EDJ-MED-8bb691af-4
0.463
LUO-POS-868e8996-12
0.463
LUO-POS-868e8996-11
0.463
MAT-POS-c7726e07-5
0.463
MAT-POS-c7726e07-6
0.463
VLA-UNK-83c3754c-2
0.461
EDJ-MED-24007d8a-1
0.459
ALP-POS-ecbed2ba-3
0.459
EDJ-MED-3707c4bc-1
0.459
EDJ-MED-3707c4bc-2
0.459
MAT-POS-ddfe83c6-4
0.459
VLA-MRT-a639d434-1
0.459
VLA-MRT-8c78ee15-3
0.459
EDJ-MED-7587a9ee-2
0.458
VLA-MRT-8c78ee15-4
0.458
VLA-MRT-a639d434-2
0.458
ALP-POS-ecbed2ba-20
0.458
EDJ-MED-3af0740c-6
0.457
MAT-POS-90505e2b-1
0.456
MAT-POS-ec6d90b7-1
0.456
MAT-POS-ec6d90b7-2
0.456
EDJ-MED-cc48ee33-5
0.456
ALP-POS-c3a90b22-2
0.455
MAT-POS-69786b79-3
0.455
EDJ-MED-cc48ee33-3
0.455
VLA-UNK-3bd6fc51-1
0.454
EDJ-MED-4138fde9-7
0.453