Molecular Properties | |
SMILES: | Cc1ncn(-c2cncc3ccccc23)c(=O)c1-c1cccc(Cl)c1 |
MW: | 347.08 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 47.78 |
cLogP: | 4.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-5d6f1b43-3
0.637
DAR-DIA-5d6f1b43-5
0.613
DAR-DIA-5d6f1b43-11
0.602
DAR-DIA-5d6f1b43-1
0.585
DAR-DIA-5d6f1b43-4
0.583
DAR-DIA-5d6f1b43-7
0.510
PET-UNK-94460c07-1
0.506
DAR-DIA-5d6f1b43-13
0.500
DAR-DIA-5d6f1b43-6
0.495
PET-UNK-94460c07-2
0.457
PET-UNK-e8933450-1
0.446
PET-UNK-7be94445-2
0.420
VLA-UCB-1dbca3b4-3
0.411
DAR-DIA-0f7b7cd9-7
0.411
PET-UNK-7be94445-1
0.411
ALP-UNI-dbb9503d-1
0.411
MAT-POS-24589f88-14
0.400
BEN-DND-d1eb1f41-7
0.400
PET-UNK-7b413b46-6
0.398
PET-UNK-4dc48bbe-4
0.398
PET-UNK-7b413b46-2
0.398
DAR-DIA-0f7b7cd9-6
0.396
DAR-DIA-0f7b7cd9-5
0.394
MAT-POS-d8472c4f-1
0.394
MAT-POS-8695a11f-3
0.394
VLA-UCB-1dbca3b4-13
0.394
MAT-POS-8695a11f-1
0.394
ALP-UNI-58319883-2
0.392
PET-UNK-431b3bfb-1
0.392
DAR-DIA-5d6f1b43-10
0.390
PET-UNK-7a31b064-1
0.388
DAR-DIA-b80f1cd7-1
0.385
PET-UNK-689df078-4
0.385
PET-UNK-c9c1e0d8-3
0.385
DAR-DIA-5d6f1b43-12
0.384
VLA-UNK-db5e3064-2
0.383
VLA-UCB-1dbca3b4-17
0.383
PET-UNK-4dc48bbe-6
0.383
VLA-UCB-1dbca3b4-6
0.383
PET-UNK-7b413b46-1
0.381
PET-UNK-7b413b46-5
0.381
PET-UNK-c9c1e0d8-4
0.379
GIA-UNK-80c9bc96-1
0.379
EDG-MED-5d232de5-8
0.379
DAR-DIA-0f7b7cd9-4
0.379
EDG-MED-5d232de5-7
0.379
PET-UNK-689df078-2
0.378
VLA-UNK-db5e3064-1
0.378
MAT-UCL-e2ab2224-2
0.377
PET-UNK-7a31b064-2
0.376
PET-UNK-689df078-3
0.375
MIC-UNK-9582b2c5-3
0.374
EDJ-MED-96f6b92c-1
0.374
PET-UNK-194f9da3-2
0.373
DAR-DIA-b80f1cd7-2
0.370
PET-UNK-abc197b8-1
0.367
VLA-UCB-1dbca3b4-18
0.367
PET-UNK-689df078-1
0.367
VLA-UCB-1dbca3b4-10
0.367
ALP-UNI-dbb9503d-2
0.366
MIC-UNK-0a05c952-2
0.363
DAR-DIA-5d6f1b43-25
0.362
PET-UNK-7b413b46-4
0.360
PET-UNK-5ddd54c7-2
0.360
DAR-DIA-53551c05-12
0.360
PET-UNK-7b413b46-8
0.360
PET-UNK-3e354a91-1
0.360
VLA-UNK-83c3754c-2
0.359
PET-UNK-5ddd54c7-1
0.359
DAR-DIA-5d6f1b43-33
0.358
MIC-UNK-9582b2c5-1
0.358
DAR-DIA-d6e5861b-9
0.357
PET-UNK-7b413b46-3
0.356
PET-UNK-7b413b46-7
0.356
DAR-DIA-5d6f1b43-24
0.355
DAR-DIA-5d6f1b43-2
0.355
DAR-DIA-5d6f1b43-9
0.354
JUL-TUD-06b2044f-112
0.354
MIC-UNK-0a05c952-1
0.353
DAR-DIA-5d6f1b43-26
0.352
MIC-UNK-d854bf4c-3
0.352
PET-UNK-194f9da3-1
0.350
MIC-UNK-d854bf4c-7
0.349
DAR-DIA-d6e5861b-4
0.347
DAR-DIA-d6e5861b-2
0.347
DAR-DIA-b80f1cd7-13
0.346
DAR-DIA-b80f1cd7-5
0.345
DAR-DIA-5d6f1b43-14
0.343
DAR-DIA-5d6f1b43-32
0.343
DAR-DIA-5d6f1b43-31
0.343
DAR-DIA-b80f1cd7-11
0.343
DAR-DIA-b80f1cd7-14
0.343
DAR-DIA-b80f1cd7-10
0.343
PET-UNK-b870596d-2
0.340
DAR-DIA-b80f1cd7-12
0.339
MIC-UNK-d854bf4c-1
0.339
DAR-DIA-b80f1cd7-9
0.339
VLA-UCB-1dbca3b4-12
0.339
JAG-UCB-f37eaa14-3
0.337
MIC-UNK-d854bf4c-5
0.336