Molecular Properties | |
SMILES: | O=C1C(=O)N(Cc2cncc3ccccc23)c2cc(-c3cccc(Cl)c3)ccc21 |
MW: | 398.08 |
Fraction sp3: | 0.04 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 50.27 |
cLogP: | 5.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
Filter41_12_dicarbonyl
Ketone
DAR-DIA-53551c05-3
0.624
DAR-DIA-53551c05-11
0.612
DAR-DIA-53551c05-10
0.605
DAR-DIA-53551c05-18
0.600
DAR-DIA-53551c05-6
0.557
DAR-DIA-53551c05-14
0.458
DAR-DIA-53551c05-2
0.451
PET-UNK-8922bd3c-1
0.391
DAR-DIA-53551c05-17
0.388
ALP-POS-75715966-2
0.388
DAR-DIA-5d6f1b43-1
0.381
DAR-DIA-6a49afbe-1
0.380
DAR-DIA-53551c05-16
0.379
DAR-DIA-53551c05-7
0.378
NAU-LAT-b0463c38-9
0.374
DAR-DIA-6a49afbe-4
0.371
DAR-DIA-5d6f1b43-4
0.370
NAU-LAT-b0463c38-1
0.367
NAU-LAT-a5c7d7cb-8
0.364
PET-UNK-94460c07-1
0.364
MAT-POS-173a45da-1
0.362
NAU-LAT-a5c7d7cb-4
0.362
DAR-DIA-5d6f1b43-8
0.360
DAR-DIA-5d6f1b43-5
0.357
PET-UNK-e8933450-1
0.356
DAR-DIA-5d6f1b43-11
0.356
DAR-DIA-5d6f1b43-14
0.356
PET-UNK-94460c07-2
0.356
ADA-UCB-6c2cb422-1
0.355
PET-UNK-b870596d-2
0.354
DAR-DIA-6a49afbe-5
0.351
DAR-DIA-5d6f1b43-3
0.350
MIC-UNK-d36ab305-6
0.350
MIC-UNK-c66144cb-6
0.349
PET-UNK-4d432d33-2
0.349
PET-UNK-4d432d33-6
0.349
DAR-DIA-5d6f1b43-13
0.348
PET-UNK-4d432d33-1
0.345
PET-UNK-4d432d33-5
0.345
DAR-DIA-5d6f1b43-7
0.345
DAR-DIA-5d6f1b43-6
0.345
PET-UNK-7be94445-2
0.344
MIC-UNK-c5a20098-2
0.343
PET-UNK-7b413b46-7
0.343
PET-UNK-7b413b46-3
0.343
MIC-UNK-c66144cb-5
0.343
ALP-POS-b3306dea-1
0.343
MIC-UNK-c66144cb-4
0.339
ALP-POS-c3a96089-4
0.339
MAT-POS-6c284e65-2
0.339
DAR-DIA-0f7b7cd9-5
0.337
MIC-UNK-d36ab305-3
0.336
DAR-DIA-5d6f1b43-20
0.336
MAT-POS-6c284e65-1
0.336
PET-UNK-7b413b46-8
0.333
PET-UNK-3e354a91-1
0.333
DAR-DIA-5d6f1b43-23
0.333
PET-UNK-b870596d-1
0.333
PET-UNK-7b413b46-4
0.333
DAR-DIA-5d6f1b43-19
0.330
EDJ-MED-eb111c00-4
0.327
DAR-DIA-5d6f1b43-26
0.327
DAR-DIA-5d6f1b43-15
0.327
PET-UNK-689df078-1
0.327
VLA-UCB-1dbca3b4-10
0.327
PET-UNK-7b413b46-1
0.327
PET-UNK-7b413b46-5
0.327
VLA-UNK-db5e3064-2
0.327
DAR-DIA-6a49afbe-7
0.327
DAR-DIA-6a49afbe-8
0.327
DAR-DIA-5d6f1b43-2
0.327
MAT-POS-bb423b95-7
0.327
EDJ-MED-ee07cf00-9
0.325
MIC-UNK-9582b2c5-3
0.325
ALP-POS-c3a96089-3
0.325
DAR-DIA-0f7b7cd9-4
0.324
EDG-MED-5d232de5-7
0.324
PET-UNK-c9c1e0d8-4
0.324
GIA-UNK-80c9bc96-1
0.324
EDG-MED-5d232de5-8
0.324
DAR-DIA-0f7b7cd9-6
0.323
PET-UNK-7be94445-1
0.323
DAR-DIA-0f7b7cd9-7
0.323
VLA-UCB-1dbca3b4-3
0.323
ALP-POS-76eab5ce-1
0.323
MIC-UNK-9582b2c5-2
0.322
MIC-UNK-c5a20098-3
0.321
JOH-UNI-ea1df7a8-1
0.321
PET-UNK-689df078-3
0.320
PET-UNK-a692de38-1
0.320
PET-UNK-12d8d43f-1
0.320
DAR-DIA-2964957d-1
0.320
DAR-DIA-70d163b2-1
0.319
MIC-UNK-482af05e-4
0.319
DAR-DIA-5d6f1b43-22
0.318
MIC-UNK-cdc2493e-18
0.318
DAR-DIA-6a508060-1
0.318
DAR-DIA-b80f1cd7-2
0.318
ERI-UCB-d6de1f3c-7
0.318
DAR-DIA-b80f1cd7-1
0.317