Molecular Properties | |
SMILES: | Cc1ccccc1-c1cn(-c2cccc(Cl)c2)c(=O)c(-c2cncc3ccccc23)c1C |
MW: | 436.13 |
Fraction sp3: | 0.07 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 34.89 |
cLogP: | 6.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
branched_polycyclic_aromatic
DAR-DIA-5d6f1b43-32
0.786
DAR-DIA-5d6f1b43-25
0.727
DAR-DIA-5d6f1b43-33
0.681
DAR-DIA-5d6f1b43-27
0.626
DAR-DIA-5d6f1b43-24
0.604
DAR-DIA-5d6f1b43-29
0.585
DAR-DIA-5d6f1b43-16
0.542
DAR-DIA-5d6f1b43-2
0.517
DAR-DIA-5d6f1b43-23
0.490
DAR-DIA-5d6f1b43-26
0.480
DAR-DIA-5d6f1b43-18
0.480
DAR-DIA-5d6f1b43-22
0.471
DAR-DIA-5d6f1b43-20
0.462
DAR-DIA-5d6f1b43-28
0.436
DAR-DIA-5d6f1b43-9
0.433
DAR-DIA-5d6f1b43-14
0.417
DAR-DIA-5d6f1b43-15
0.413
PET-UNK-b870596d-1
0.412
DAR-DIA-5d6f1b43-21
0.411
PET-UNK-b870596d-2
0.404
DAR-DIA-5d6f1b43-30
0.402
DAR-DIA-5d6f1b43-17
0.385
PET-UNK-4dc48bbe-4
0.376
DAR-DIA-5d6f1b43-19
0.375
DAR-DIA-5d6f1b43-3
0.359
ADA-UCB-6c2cb422-6
0.343
DAR-DIA-5d6f1b43-8
0.343
PET-UNK-7be94445-2
0.340
ERI-UCB-d6de1f3c-7
0.339
VLA-UCB-1dbca3b4-13
0.333
DAR-DIA-0f7b7cd9-7
0.333
PET-UNK-94460c07-1
0.333
PET-UNK-7be94445-1
0.333
MAT-POS-54c4bf04-3
0.330
DAR-DIA-5d6f1b43-12
0.327
DAR-DIA-5d6f1b43-11
0.327
DAR-DIA-5d6f1b43-5
0.327
DAR-DIA-5d6f1b43-1
0.324
DAR-DIA-5d6f1b43-13
0.322
DAR-DIA-5d6f1b43-10
0.321
DAR-DIA-0f7b7cd9-6
0.320
VLA-UCB-1dbca3b4-3
0.320
DAR-DIA-5d6f1b43-7
0.319
PET-UNK-94460c07-2
0.315
DAR-DIA-5d6f1b43-4
0.315
ERI-UCB-d6de1f3c-2
0.312
ERI-UCB-d6de1f3c-5
0.309
DAR-DIA-0f7b7cd9-5
0.308
DAR-DIA-5d6f1b43-6
0.308
MIC-UNK-02d7a284-3
0.308
MAT-POS-83f73d0a-3
0.307
DAR-DIA-53551c05-12
0.306
NAU-LAT-4ce8bf23-3
0.306
MIC-UNK-02d7a284-1
0.305
DAR-DIA-2964957d-1
0.304
DAR-DIA-b80f1cd7-2
0.304
DAR-DIA-f6ee7aeb-6
0.303
PET-UNK-e8933450-1
0.303
PET-UNK-c9c1e0d8-3
0.303
DAR-DIA-b80f1cd7-1
0.303
MIC-UNK-c5a20098-1
0.302
NIR-THE-1e03c142-1
0.302
MIC-UNK-d36ab305-5
0.300
ALP-UNI-dbb9503d-1
0.300
DAR-DIA-b80f1cd7-4
0.300
FRA-DIA-13af2da5-1
0.300
ALP-POS-75715966-2
0.298
DAR-DIA-b80f1cd7-7
0.298
MIC-UNK-d36ab305-6
0.297
DAR-DIA-0f7b7cd9-4
0.296
MAT-POS-d8472c4f-1
0.296
MAT-POS-8695a11f-1
0.296
MAT-POS-8695a11f-3
0.296
DAR-DIA-2964957d-9
0.296
DAR-DIA-b80f1cd7-8
0.295
MIC-UNK-25b9c114-1
0.295
MIC-UNK-d36ab305-2
0.295
NAU-LAT-4ce8bf23-1
0.295
EDJ-MED-96f6b92c-1
0.295
ALP-POS-76eab5ce-2
0.294
JOH-MSK-1f2dff76-4
0.293
JOH-MSK-1f2dff76-3
0.293
MIC-UNK-02d7a284-2
0.293
MIC-UNK-d36ab305-1
0.292
MIC-UNK-c5a20098-2
0.291
MAT-POS-24589f88-14
0.291
BEN-DND-d1eb1f41-7
0.291
ALP-UNI-dbb9503d-2
0.289
MAT-POS-2e8b2191-5
0.289
MIC-UNK-9582b2c5-3
0.289
DAR-DIA-b80f1cd7-3
0.289
PET-UNK-4c71d490-3
0.289
PET-UNK-4c71d490-7
0.289
EDJ-MED-0d144977-3
0.289
EDJ-MED-cc48ee33-7
0.289
NAU-LAT-2fed8305-1
0.288
ALP-POS-f13221e1-3
0.288
NAU-LAT-30527ac5-1
0.288
ERI-UCB-d6de1f3c-6
0.288
VLA-UCB-1dbca3b4-17
0.287