Molecular Properties | |
SMILES: | Cc1c(-c2ccncc2)cc(-c2cncc3ccccc23)c(=O)n1-c1cccc(Cl)c1 |
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-5d6f1b43-14
0.833
DAR-DIA-5d6f1b43-16
0.706
DAR-DIA-5d6f1b43-17
0.609
DAR-DIA-5d6f1b43-21
0.591
DAR-DIA-5d6f1b43-19
0.573
DAR-DIA-5d6f1b43-9
0.563
DAR-DIA-5d6f1b43-23
0.505
DAR-DIA-5d6f1b43-26
0.495
DAR-DIA-5d6f1b43-2
0.483
DAR-DIA-5d6f1b43-18
0.480
DAR-DIA-5d6f1b43-28
0.476
DAR-DIA-5d6f1b43-20
0.447
DAR-DIA-5d6f1b43-33
0.442
DAR-DIA-5d6f1b43-22
0.441
PET-UNK-b870596d-1
0.441
DAR-DIA-5d6f1b43-30
0.425
DAR-DIA-5d6f1b43-24
0.425
PET-UNK-b870596d-2
0.417
DAR-DIA-5d6f1b43-32
0.413
DAR-DIA-5d6f1b43-31
0.413
DAR-DIA-5d6f1b43-25
0.406
DAR-DIA-0f7b7cd9-6
0.400
DAR-DIA-5d6f1b43-27
0.386
PET-UNK-94460c07-1
0.384
DAR-DIA-5d6f1b43-29
0.364
PET-UNK-94460c07-2
0.349
PET-UNK-4dc48bbe-4
0.347
DAR-DIA-0f7b7cd9-7
0.343
DAR-DIA-5d6f1b43-3
0.343
MAT-POS-54c4bf04-3
0.340
PET-UNK-7be94445-2
0.337
PET-UNK-e8933450-1
0.337
ERI-UCB-d6de1f3c-7
0.336
PET-UNK-7be94445-1
0.330
VLA-UCB-1dbca3b4-3
0.330
DAR-DIA-53551c05-12
0.327
DAR-DIA-5d6f1b43-8
0.327
DAR-DIA-5d6f1b43-1
0.320
VLA-UCB-1dbca3b4-13
0.317
RAI-NOV-c18e0037-3
0.314
PET-UNK-8922bd3c-1
0.313
MIC-UNK-c5a20098-2
0.311
DAR-DIA-5d6f1b43-4
0.311
DAR-DIA-5d6f1b43-11
0.311
MIC-UNK-c5a20098-1
0.311
DAR-DIA-5d6f1b43-5
0.311
PET-UNK-abc197b8-1
0.308
ERI-UCB-d6de1f3c-2
0.308
VLA-UCB-1dbca3b4-18
0.308
EDJ-MED-cf4b0d25-4
0.305
DAR-DIA-2964957d-9
0.305
DAR-DIA-0f7b7cd9-5
0.305
MAT-POS-d8472c4f-1
0.305
MAT-POS-8695a11f-1
0.305
MAT-POS-8695a11f-3
0.305
ALP-POS-76eab5ce-2
0.303
MIC-UNK-c5a20098-3
0.303
PET-UNK-689df078-3
0.302
NAU-LAT-4ce8bf23-3
0.302
VLA-UNK-9a7dc93f-7
0.301
DAR-DIA-5d6f1b43-12
0.300
DAR-DIA-2964957d-1
0.300
ALP-POS-ddb41b15-6
0.300
BEN-DND-d1eb1f41-7
0.299
PET-UNK-c9c1e0d8-3
0.299
MAT-POS-24589f88-14
0.299
ALP-UNI-dbb9503d-1
0.296
PET-UNK-94460c07-5
0.296
PET-UNK-7b413b46-6
0.295
PET-UNK-7b413b46-2
0.295
MAK-UNK-ffc90da7-7
0.295
DAR-DIA-5d6f1b43-10
0.295
MIC-UNK-bcd487e9-10
0.295
MIC-UNK-02d7a284-3
0.294
MIC-UNK-9582b2c5-2
0.294
DAR-DIA-5d6f1b43-7
0.294
ADA-UCB-6c2cb422-1
0.293
NAU-LAT-a5c7d7cb-8
0.292
DAR-DIA-0f7b7cd9-4
0.292
PET-UNK-194f9da3-2
0.292
MIC-UNK-25b9c114-1
0.292
ALP-POS-f13221e1-2
0.291
MIC-UNK-02d7a284-1
0.291
ALP-POS-76eab5ce-1
0.290
DAR-DIA-6a49afbe-1
0.290
MAK-UNK-c749d764-6
0.289
MAK-UNK-ffc90da7-1
0.289
ADA-UCB-6c2cb422-6
0.288
PET-UNK-7b413b46-3
0.288
PET-UNK-7b413b46-7
0.288
PET-UNK-94460c07-3
0.287
PET-UNK-689df078-4
0.287
MIC-UNK-9582b2c5-3
0.286
ALP-UNI-dbb9503d-2
0.286
FRA-DIA-13af2da5-1
0.284
PET-UNK-7b413b46-5
0.284
PET-UNK-7b413b46-1
0.284
MIC-UNK-d36ab305-5
0.284
NAU-LAT-2fed8305-1
0.284
RAL-THA-2d450e86-27
0.284