Molecular Properties | |
SMILES: | Cc1c(-c2ccccc2)cc(-c2cncc3ccccc23)c(=O)n1-c1cccc(Cl)c1 |
MW: | 422.12 |
Fraction sp3: | 0.04 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 34.89 |
cLogP: | 6.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
branched_polycyclic_aromatic
DAR-DIA-5d6f1b43-15
0.833
DAR-DIA-5d6f1b43-16
0.714
DAR-DIA-5d6f1b43-17
0.615
DAR-DIA-5d6f1b43-19
0.613
DAR-DIA-5d6f1b43-21
0.598
DAR-DIA-5d6f1b43-9
0.570
DAR-DIA-5d6f1b43-26
0.515
DAR-DIA-5d6f1b43-23
0.510
DAR-DIA-5d6f1b43-18
0.485
DAR-DIA-5d6f1b43-20
0.480
DAR-DIA-5d6f1b43-2
0.472
DAR-DIA-5d6f1b43-28
0.467
DAR-DIA-5d6f1b43-33
0.447
DAR-DIA-5d6f1b43-22
0.446
PET-UNK-b870596d-1
0.430
DAR-DIA-5d6f1b43-24
0.429
PET-UNK-b870596d-2
0.421
DAR-DIA-5d6f1b43-32
0.417
DAR-DIA-5d6f1b43-31
0.417
DAR-DIA-5d6f1b43-30
0.416
DAR-DIA-5d6f1b43-25
0.410
DAR-DIA-0f7b7cd9-6
0.404
PET-UNK-94460c07-1
0.402
DAR-DIA-5d6f1b43-27
0.377
PET-UNK-94460c07-2
0.365
PET-UNK-4dc48bbe-4
0.364
DAR-DIA-5d6f1b43-3
0.360
DAR-DIA-53551c05-12
0.356
DAR-DIA-5d6f1b43-29
0.355
HAO-BIO-c9aafde3-11
0.354
PET-UNK-e8933450-1
0.353
DAR-DIA-0f7b7cd9-7
0.347
MAT-POS-54c4bf04-3
0.343
DAR-DIA-5d6f1b43-8
0.343
PET-UNK-7be94445-2
0.340
PET-UNK-e8933450-2
0.340
ERI-UCB-d6de1f3c-7
0.340
DAR-DIA-5d6f1b43-1
0.337
PET-UNK-7be94445-1
0.333
VLA-UCB-1dbca3b4-3
0.333
DAR-DIA-5d6f1b43-4
0.327
DAR-DIA-5d6f1b43-11
0.327
DAR-DIA-5d6f1b43-5
0.327
VLA-UCB-1dbca3b4-13
0.320
EDJ-MED-cf4b0d25-4
0.320
MIC-UNK-9582b2c5-2
0.319
VLA-UNK-9a7dc93f-7
0.317
MIC-UNK-c5a20098-2
0.314
MIC-UNK-c5a20098-1
0.314
ERI-UCB-d6de1f3c-2
0.311
ADA-UCB-6c2cb422-1
0.309
MAK-UNK-ffc90da7-7
0.309
DAR-DIA-2964957d-9
0.308
DAR-DIA-5d6f1b43-7
0.308
MAT-POS-d8472c4f-1
0.308
MAT-POS-8695a11f-1
0.308
MAT-POS-8695a11f-3
0.308
MIC-UNK-c5a20098-3
0.306
MIC-UNK-25b9c114-1
0.305
PET-UNK-689df078-3
0.305
NAU-LAT-4ce8bf23-3
0.305
MIC-UNK-02d7a284-1
0.304
RAI-NOV-c18e0037-3
0.304
MAK-UNK-c749d764-6
0.304
MAK-UNK-ffc90da7-1
0.304
DAR-DIA-2964957d-1
0.303
PET-UNK-8922bd3c-1
0.303
DAR-DIA-5d6f1b43-12
0.303
BEN-DND-d1eb1f41-7
0.302
PET-UNK-c9c1e0d8-3
0.302
MAT-POS-24589f88-14
0.302
EDJ-MED-ee07cf00-9
0.301
MIC-UNK-9582b2c5-3
0.299
ALP-UNI-dbb9503d-1
0.299
PET-UNK-94460c07-5
0.299
PET-UNK-7b413b46-6
0.298
PET-UNK-7b413b46-2
0.298
VLA-UNK-db5e3064-2
0.298
DAR-DIA-5d6f1b43-10
0.297
MIC-UNK-02d7a284-3
0.297
NAU-LAT-a5c7d7cb-2
0.296
MIC-UNK-6ab519a7-1
0.296
MIC-UNK-5a93dd5f-10
0.296
NIR-THE-590dedc7-1
0.296
DAR-DIA-0d514e7d-9
0.296
DAR-DIA-0f7b7cd9-4
0.295
DAR-DIA-0f7b7cd9-5
0.295
EDJ-MED-ee07cf00-1
0.295
ALP-POS-76eab5ce-1
0.293
DAR-DIA-6a49afbe-1
0.293
ALP-POS-76eab5ce-2
0.293
MIC-UNK-d36ab305-1
0.291
EDJ-MED-ee07cf00-13
0.290
EDJ-MED-ee07cf00-7
0.290
MAT-POS-a13804f0-1
0.290
JOH-UNI-3fc3434e-6
0.290
JOH-UNI-ee5ed7c8-6
0.290
PET-UNK-689df078-4
0.290
ALP-UNI-dbb9503d-2
0.288
ALP-UNI-44c99a80-1
0.288