Molecular Properties | |
SMILES: | Cc1c(-c2cccnc2)cn(-c2cccc(Cl)c2)c(=O)c1-c1cncc2ccccc12 |
MW: | 423.11 |
Fraction sp3: | 0.04 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 47.78 |
cLogP: | 6.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
branched_polycyclic_aromatic
DAR-DIA-5d6f1b43-31
0.681
DAR-DIA-5d6f1b43-32
0.681
DAR-DIA-5d6f1b43-25
0.667
DAR-DIA-5d6f1b43-27
0.624
DAR-DIA-5d6f1b43-24
0.586
DAR-DIA-5d6f1b43-29
0.583
DAR-DIA-5d6f1b43-2
0.484
DAR-DIA-5d6f1b43-26
0.481
DAR-DIA-5d6f1b43-20
0.476
DAR-DIA-5d6f1b43-23
0.476
DAR-DIA-5d6f1b43-18
0.466
DAR-DIA-5d6f1b43-28
0.464
DAR-DIA-5d6f1b43-22
0.457
DAR-DIA-5d6f1b43-14
0.447
DAR-DIA-5d6f1b43-15
0.442
DAR-DIA-5d6f1b43-30
0.427
DAR-DIA-5d6f1b43-9
0.420
DAR-DIA-5d6f1b43-16
0.411
DAR-DIA-5d6f1b43-19
0.402
PET-UNK-b870596d-1
0.400
DAR-DIA-5d6f1b43-21
0.400
PET-UNK-b870596d-2
0.392
DAR-DIA-5d6f1b43-17
0.387
DAR-DIA-5d6f1b43-3
0.375
PET-UNK-4dc48bbe-4
0.365
DAR-DIA-5d6f1b43-8
0.358
PET-UNK-94460c07-1
0.349
DAR-DIA-5d6f1b43-7
0.345
PET-UNK-7be94445-2
0.343
DAR-DIA-5d6f1b43-5
0.343
DAR-DIA-5d6f1b43-11
0.343
DAR-DIA-5d6f1b43-1
0.340
PET-UNK-7be94445-1
0.337
DAR-DIA-0f7b7cd9-7
0.337
VLA-UCB-1dbca3b4-13
0.336
DAR-DIA-5d6f1b43-13
0.336
DAR-DIA-5d6f1b43-6
0.333
ADA-UCB-6c2cb422-6
0.333
ERI-UCB-d6de1f3c-7
0.330
PET-UNK-94460c07-2
0.330
DAR-DIA-5d6f1b43-4
0.330
DAR-DIA-5d6f1b43-10
0.325
DAR-DIA-0f7b7cd9-6
0.324
VLA-UCB-1dbca3b4-3
0.324
MAT-POS-54c4bf04-3
0.321
DAR-DIA-b80f1cd7-1
0.318
PET-UNK-e8933450-1
0.318
FRA-DIA-13af2da5-1
0.315
MIC-UNK-d36ab305-5
0.315
ALP-POS-76eab5ce-2
0.311
DAR-DIA-53551c05-12
0.310
MIC-UNK-d36ab305-2
0.310
RAI-NOV-c18e0037-3
0.308
DAR-DIA-2964957d-1
0.308
DAR-DIA-5d6f1b43-12
0.307
DAR-DIA-f6ee7aeb-6
0.306
MED-COV-4280ac29-3
0.306
MIC-UNK-c5a20098-1
0.306
RAI-NOV-c18e0037-5
0.306
PET-UNK-94460c07-5
0.304
ERI-UCB-d6de1f3c-2
0.304
MAT-POS-bb423b95-7
0.302
MIC-UNK-bcd487e9-10
0.302
ERI-UCB-d6de1f3c-5
0.302
ERI-UCB-d6de1f3c-6
0.302
MIC-UNK-d36ab305-6
0.301
MIC-UNK-9582b2c5-2
0.301
PET-UNK-4dc48bbe-5
0.300
DAR-DIA-0f7b7cd9-5
0.300
DAR-DIA-0f7b7cd9-4
0.300
MIC-UNK-02d7a284-1
0.298
NAU-LAT-4ce8bf23-3
0.297
DAR-DIA-b80f1cd7-2
0.296
ALP-POS-ddb41b15-6
0.295
MIC-UNK-c5a20098-2
0.295
PET-UNK-c9c1e0d8-3
0.295
MAT-POS-22e8b45a-4
0.293
MAT-POS-777f5926-1
0.293
MIC-UNK-9582b2c5-3
0.293
NAU-LAT-2fed8305-1
0.292
ALP-POS-f13221e1-3
0.292
MIC-UNK-d36ab305-3
0.291
ALP-POS-75715966-2
0.291
MIC-UNK-02d7a284-3
0.290
RAL-THA-2d450e86-15
0.290
PET-UNK-94460c07-6
0.290
JOH-UNI-3fc3434e-7
0.289
JOH-UNI-ee5ed7c8-7
0.289
ADA-UCB-6c2cb422-1
0.288
MAT-POS-d8472c4f-1
0.288
MAT-POS-8695a11f-1
0.288
MAT-POS-8695a11f-3
0.288
DAR-DIA-2964957d-9
0.288
MAT-POS-83f73d0a-3
0.288
MIC-UNK-25b9c114-1
0.288
NAU-LAT-2fed8305-2
0.287
ALP-POS-f13221e1-2
0.287
EDJ-MED-96f6b92c-1
0.287
DAR-DIA-70d163b2-2
0.287
MIC-UNK-c5a20098-3
0.287