Molecular Properties | |
SMILES: | O=c1c(-c2cncc3ccccc23)cccn1-c1cccc(Cl)c1 |
MW: | 332.07 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 34.89 |
cLogP: | 4.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-5d6f1b43-18
0.547
DAR-DIA-5d6f1b43-26
0.545
DAR-DIA-5d6f1b43-23
0.540
DAR-DIA-5d6f1b43-22
0.534
DAR-DIA-5d6f1b43-20
0.522
DAR-DIA-5d6f1b43-32
0.517
DAR-DIA-5d6f1b43-31
0.517
DAR-DIA-5d6f1b43-9
0.512
DAR-DIA-5d6f1b43-28
0.505
DAR-DIA-5d6f1b43-25
0.489
PET-UNK-b870596d-1
0.488
DAR-DIA-5d6f1b43-33
0.484
DAR-DIA-5d6f1b43-15
0.483
DAR-DIA-5d6f1b43-16
0.478
DAR-DIA-5d6f1b43-30
0.475
DAR-DIA-5d6f1b43-14
0.472
DAR-DIA-5d6f1b43-24
0.463
DAR-DIA-5d6f1b43-1
0.459
PET-UNK-b870596d-2
0.459
DAR-DIA-5d6f1b43-17
0.447
DAR-DIA-5d6f1b43-21
0.447
DAR-DIA-5d6f1b43-27
0.446
PET-UNK-4dc48bbe-4
0.442
DAR-DIA-5d6f1b43-19
0.433
DAR-DIA-5d6f1b43-29
0.417
DAR-DIA-0f7b7cd9-7
0.391
PET-UNK-7be94445-2
0.384
ERI-UCB-d6de1f3c-7
0.379
PET-UNK-7be94445-1
0.375
DAR-DIA-0f7b7cd9-6
0.375
VLA-UCB-1dbca3b4-3
0.375
VLA-UCB-1dbca3b4-13
0.374
MAT-POS-54c4bf04-3
0.371
DAR-DIA-5d6f1b43-5
0.367
ERI-UCB-d6de1f3c-2
0.362
DAR-DIA-5d6f1b43-3
0.359
DAR-DIA-5d6f1b43-8
0.355
MIC-UNK-c5a20098-1
0.352
DAR-DIA-5d6f1b43-4
0.351
DAR-DIA-5d6f1b43-11
0.351
PET-UNK-c9c1e0d8-3
0.351
ALP-POS-76eab5ce-1
0.345
DAR-DIA-0f7b7cd9-5
0.344
PET-UNK-94460c07-1
0.344
DAR-DIA-5d6f1b43-10
0.343
DAR-DIA-2964957d-1
0.341
ADA-UCB-6c2cb422-6
0.341
PET-UNK-7b413b46-8
0.340
PET-UNK-7a31b064-1
0.340
PET-UNK-7b413b46-4
0.340
MIC-UNK-c5a20098-2
0.337
PET-UNK-e8933450-1
0.337
DAR-DIA-5d6f1b43-12
0.337
PET-UNK-7b413b46-5
0.333
PET-UNK-7b413b46-1
0.333
PET-UNK-7b413b46-6
0.333
VLA-UCB-1dbca3b4-6
0.333
PET-UNK-abc197b8-1
0.333
PET-UNK-7b413b46-2
0.333
VLA-UCB-1dbca3b4-18
0.333
DAR-DIA-5d6f1b43-13
0.330
PET-UNK-7a31b064-2
0.330
EDG-MED-5d232de5-8
0.330
GIA-UNK-80c9bc96-1
0.330
PET-UNK-c9c1e0d8-4
0.330
EDG-MED-5d232de5-7
0.330
ALP-POS-76eab5ce-2
0.330
MIC-UNK-9582b2c5-2
0.327
DAR-DIA-5d6f1b43-6
0.327
DAR-DIA-5d6f1b43-7
0.327
MIC-UNK-02d7a284-3
0.327
DAR-DIA-53551c05-12
0.327
MIC-UNK-c5a20098-3
0.327
PET-UNK-689df078-3
0.326
VLA-UCB-05e51b3f-17
0.326
PET-UNK-8922bd3c-1
0.326
MIC-UNK-02d7a284-1
0.324
PET-UNK-94460c07-2
0.323
ALP-POS-f13221e1-3
0.322
PET-UNK-689df078-1
0.320
VLA-UCB-1dbca3b4-10
0.320
PET-UNK-5ecb6237-1
0.319
VLA-UCB-1dbca3b4-17
0.319
PET-UNK-4dc48bbe-6
0.319
VLA-UNK-db5e3064-2
0.319
ADA-UCB-6c2cb422-1
0.318
MIC-UNK-9582b2c5-3
0.318
MIC-UNK-0a05c952-2
0.317
PET-UNK-689df078-2
0.316
VLA-UNK-db5e3064-1
0.316
DAR-DIA-2964957d-9
0.316
DAR-DIA-0f7b7cd9-4
0.316
MAT-POS-d8472c4f-1
0.316
MAT-POS-8695a11f-1
0.316
MAT-POS-8695a11f-3
0.316
ERI-UCB-d6de1f3c-5
0.315
ERI-UCB-d6de1f3c-6
0.315
NAU-LAT-2fed8305-2
0.315
ALP-POS-f13221e1-2
0.315
DAR-DIA-6a49afbe-1
0.315