Molecular Properties | |
SMILES: | CN1CCN(Cc2ccn(-c3cncc4ccccc34)c(=O)c2-c2cccc(Cl)c2)CC1 |
MW: | 444.17 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 41.37 |
cLogP: | 4.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-5d6f1b43-13
0.791
DAR-DIA-5d6f1b43-6
0.783
DAR-DIA-5d6f1b43-3
0.598
DAR-DIA-5d6f1b43-5
0.593
DAR-DIA-5d6f1b43-11
0.585
DAR-DIA-5d6f1b43-4
0.568
DAR-DIA-5d6f1b43-1
0.521
DAR-DIA-5d6f1b43-8
0.510
PET-UNK-94460c07-1
0.455
PET-UNK-94460c07-2
0.430
PET-UNK-e8933450-1
0.419
BEN-DND-d1eb1f41-7
0.406
MAT-POS-24589f88-14
0.406
MAT-UCL-e2ab2224-2
0.385
PET-UNK-689df078-4
0.380
PET-UNK-4dc48bbe-4
0.377
PET-UNK-7be94445-2
0.369
DAR-DIA-b80f1cd7-2
0.366
ALP-UNI-dbb9503d-1
0.364
VLA-UCB-1dbca3b4-3
0.362
PET-UNK-7be94445-1
0.362
DAR-DIA-0f7b7cd9-7
0.362
DAR-DIA-0f7b7cd9-5
0.361
MAT-POS-8695a11f-1
0.361
MAT-POS-8695a11f-3
0.361
MAT-POS-d8472c4f-1
0.361
DAR-DIA-0f7b7cd9-4
0.361
DAR-DIA-5d6f1b43-18
0.360
PET-UNK-689df078-3
0.358
PET-UNK-194f9da3-2
0.357
DAR-DIA-b80f1cd7-13
0.356
DAR-DIA-b80f1cd7-1
0.355
PET-UNK-c9c1e0d8-3
0.355
PET-UNK-7b413b46-3
0.354
PET-UNK-7b413b46-7
0.354
MAT-UCL-e2ab2224-1
0.353
DAR-DIA-b80f1cd7-10
0.353
DAR-DIA-b80f1cd7-11
0.353
DAR-DIA-b80f1cd7-14
0.353
ALP-POS-c3a90b22-6
0.352
PET-UNK-4dc48bbe-6
0.352
VLA-UCB-1dbca3b4-17
0.352
DAR-DIA-5d6f1b43-17
0.350
DAR-DIA-b80f1cd7-12
0.350
DAR-DIA-b80f1cd7-9
0.350
DAR-DIA-0f7b7cd9-6
0.349
EDG-MED-5d232de5-7
0.349
EDG-MED-5d232de5-8
0.349
VLA-UCB-1dbca3b4-13
0.349
PET-UNK-c9c1e0d8-4
0.349
GIA-UNK-80c9bc96-1
0.349
PET-UNK-689df078-2
0.348
ALP-UNI-58319883-2
0.348
VLA-UNK-db5e3064-1
0.348
PET-UNK-431b3bfb-1
0.348
PET-UNK-7a31b064-1
0.345
EDJ-MED-96f6b92c-1
0.345
DAR-DIA-53551c05-12
0.345
VLA-UNK-83c3754c-2
0.345
PET-UNK-5ddd54c7-1
0.345
DAR-DIA-5d6f1b43-33
0.345
DAR-DIA-b80f1cd7-5
0.344
LUO-POS-ed2cfb03-1
0.344
MAT-POS-a9372f04-1
0.342
PET-UNK-7b413b46-6
0.339
PET-UNK-7b413b46-2
0.339
VLA-UCB-1dbca3b4-6
0.339
JUL-TUD-06b2044f-112
0.339
ALP-UNI-dbb9503d-2
0.339
MIC-UNK-d854bf4c-3
0.339
EDJ-MED-0d144977-2
0.339
JAG-UCB-f37eaa14-8
0.339
PET-UNK-7a31b064-2
0.336
PET-UNK-194f9da3-1
0.336
DAR-DIA-5d6f1b43-10
0.336
MIC-UNK-0a05c952-2
0.336
MIC-UNK-d854bf4c-7
0.336
DAR-DIA-b80f1cd7-3
0.336
PET-UNK-aa57768f-2
0.336
PET-UNK-aa57768f-3
0.336
PET-UNK-aa57768f-8
0.336
PET-UNK-aa57768f-9
0.336
DAR-DIA-b80f1cd7-4
0.336
VLA-UNK-5d8210f0-5
0.336
PET-UNK-7b413b46-4
0.333
DAR-DIA-b80f1cd7-7
0.333
VLA-UNK-70dd90ef-2
0.333
PET-UNK-7b413b46-8
0.333
PET-UNK-14142a25-17
0.333
PET-UNK-14142a25-8
0.333
DAR-DIA-b80f1cd7-6
0.333
VLA-UNK-3bd6fc51-1
0.333
XIA-UNK-e3342273-1
0.331
VLA-UNK-61877630-6
0.331
VLA-UNK-f2612802-3
0.331
VLA-UNK-8e615992-5
0.331
EDJ-MED-0d144977-5
0.331
ALP-POS-ecbed2ba-3
0.331
EDJ-MED-3707c4bc-2
0.331
JAG-UCB-f37eaa14-4
0.331