Molecular Properties | |
SMILES: | CS(=O)(=O)N1CCC2(CC1)CN(c1cncc3ccccc13)C(=O)C2c1cccc(Cl)c1 |
MW: | 469.12 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 70.58 |
cLogP: | 4.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MIC-UNK-d854bf4c-6
0.778
MIC-UNK-d854bf4c-1
0.769
MIC-UNK-d854bf4c-7
0.761
MIC-UNK-d854bf4c-3
0.594
MIC-UNK-d854bf4c-2
0.590
MIC-UNK-d854bf4c-8
0.584
EDG-MED-5d232de5-7
0.505
PET-UNK-c9c1e0d8-4
0.505
GIA-UNK-80c9bc96-1
0.505
EDG-MED-5d232de5-8
0.505
BEN-DND-d1eb1f41-7
0.495
PET-UNK-c9c1e0d8-3
0.495
MAT-POS-24589f88-14
0.495
PET-UNK-7b413b46-3
0.490
PET-UNK-7b413b46-7
0.490
PET-UNK-431b3bfb-1
0.471
ALP-UNI-58319883-2
0.471
EDJ-MED-7587a9ee-3
0.468
MAT-POS-8695a11f-1
0.460
MAT-POS-d8472c4f-1
0.460
MAT-POS-8695a11f-3
0.460
MIC-UNK-9582b2c5-1
0.455
PET-UNK-7b413b46-4
0.452
PET-UNK-7b413b46-8
0.452
PET-UNK-689df078-4
0.451
VLA-UCB-1dbca3b4-6
0.450
PET-UNK-7b413b46-5
0.447
PET-UNK-7b413b46-1
0.447
VLA-UCB-1dbca3b4-10
0.447
PET-UNK-689df078-1
0.447
ALP-UNI-dbb9503d-1
0.447
EDJ-MED-7587a9ee-2
0.446
MIC-UNK-d854bf4c-4
0.445
PET-UNK-7a31b064-2
0.439
EDJ-MED-96f6b92c-1
0.438
PET-UNK-7a31b064-1
0.438
EDJ-MED-3707c4bc-1
0.436
EDJ-MED-3707c4bc-2
0.436
PET-UNK-7b413b46-2
0.436
PET-UNK-7b413b46-6
0.436
DAR-DIA-f6ee7aeb-1
0.435
ALP-POS-df536be7-4
0.434
ALP-UNI-dbb9503d-2
0.430
PET-UNK-7be94445-2
0.429
EDJ-MED-40e596c8-1
0.427
PET-UNK-689df078-3
0.427
EDJ-MED-7587a9ee-4
0.426
PET-UNK-194f9da3-1
0.426
MIC-UNK-0a05c952-2
0.426
ALP-POS-ecbed2ba-3
0.424
ALP-UNI-58319883-1
0.422
VLA-UCB-1dbca3b4-17
0.422
PET-UNK-4dc48bbe-6
0.422
VLA-UNK-db5e3064-2
0.422
PET-UNK-7be94445-1
0.420
PET-UNK-abc197b8-1
0.419
VLA-UCB-1dbca3b4-18
0.419
LUO-POS-ed2cfb03-2
0.417
PET-UNK-689df078-2
0.415
VLA-UNK-db5e3064-1
0.415
JAG-UCB-f37eaa14-3
0.413
VLA-UCB-1dbca3b4-12
0.412
ALP-POS-ecbed2ba-18
0.412
EDJ-MED-accc2c4d-4
0.412
MIK-ENA-99706bb8-1
0.411
MIK-ENA-17e27e9c-1
0.411
MIK-ENA-623fe2a6-1
0.411
MIK-ENA-2c0ad173-1
0.411
MIK-ENA-be04d1d4-1
0.411
MIK-ENA-e143773d-1
0.411
MIK-ENA-edcfce18-1
0.411
MIK-ENA-0547b12c-1
0.411
MAT-POS-50a80394-1
0.411
MAT-POS-50a80394-2
0.411
PET-UNK-3e354a91-1
0.411
PET-UNK-5ddd54c7-2
0.411
ALP-POS-ecbed2ba-17
0.410
ALP-POS-ecbed2ba-20
0.409
LUO-POS-e1dab717-19
0.409
ALP-POS-ce760d3f-8
0.408
DAR-DIA-5d6f1b43-12
0.407
ALP-POS-ecbed2ba-13
0.407
DAR-DIA-0f7b7cd9-7
0.406
ALP-POS-ecbed2ba-10
0.405
EDJ-MED-4138fde9-8
0.405
MAT-POS-b3212acf-1
0.405
MAT-POS-50a80394-3
0.405
DAR-DIA-0f7b7cd9-5
0.404
MIC-UNK-0a05c952-1
0.404
LUO-POS-ed2cfb03-1
0.403
DAR-DIA-6be260fc-5
0.402
MAT-POS-c7726e07-5
0.402
LUO-POS-868e8996-11
0.402
LUO-POS-868e8996-12
0.402
MAT-POS-c7726e07-6
0.402
EDJ-MED-8bb691af-4
0.402
EDJ-MED-a12e3a20-1
0.402
ALP-POS-ecbed2ba-19
0.402
EDJ-MED-6b23330e-7
0.402
ALP-POS-ecbed2ba-16
0.400