Molecular Properties | |
SMILES: | Cc1nn(C)cc1-c1cc(-c2cncc3ccccc23)c(=O)n(-c2cccc(Cl)c2)c1 |
MW: | 426.12 |
Fraction sp3: | 0.08 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 52.71 |
cLogP: | 5.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-5d6f1b43-25
0.611
DAR-DIA-5d6f1b43-23
0.596
DAR-DIA-5d6f1b43-28
0.590
DAR-DIA-5d6f1b43-18
0.585
DAR-DIA-5d6f1b43-2
0.545
DAR-DIA-5d6f1b43-20
0.545
DAR-DIA-5d6f1b43-30
0.542
DAR-DIA-5d6f1b43-22
0.541
DAR-DIA-5d6f1b43-14
0.515
DAR-DIA-5d6f1b43-15
0.495
DAR-DIA-5d6f1b43-24
0.490
DAR-DIA-5d6f1b43-33
0.481
DAR-DIA-5d6f1b43-32
0.480
DAR-DIA-5d6f1b43-31
0.480
DAR-DIA-5d6f1b43-16
0.475
DAR-DIA-5d6f1b43-9
0.474
DAR-DIA-5d6f1b43-17
0.448
DAR-DIA-5d6f1b43-21
0.448
DAR-DIA-5d6f1b43-27
0.434
DAR-DIA-5d6f1b43-19
0.422
DAR-DIA-5d6f1b43-29
0.408
PET-UNK-b870596d-1
0.394
PET-UNK-4dc48bbe-4
0.386
PET-UNK-b870596d-2
0.386
ADA-UCB-6c2cb422-6
0.366
DAR-DIA-5d6f1b43-1
0.359
DAR-DIA-5d6f1b43-8
0.352
PET-UNK-7be94445-2
0.350
PET-UNK-94460c07-1
0.343
DAR-DIA-5d6f1b43-3
0.343
VLA-UCB-1dbca3b4-13
0.330
PET-UNK-7be94445-1
0.330
DAR-DIA-0f7b7cd9-7
0.330
VLA-UCB-1dbca3b4-3
0.330
DAR-DIA-53551c05-12
0.327
ERI-UCB-d6de1f3c-7
0.324
DAR-DIA-5d6f1b43-4
0.324
DAR-DIA-5d6f1b43-11
0.324
DAR-DIA-5d6f1b43-5
0.324
DAR-DIA-0f7b7cd9-6
0.317
PET-UNK-7a31b064-1
0.315
MAT-POS-54c4bf04-3
0.314
PET-UNK-94460c07-2
0.312
MIC-UNK-c5a20098-2
0.312
DAR-DIA-5d6f1b43-10
0.307
MIC-UNK-bcd487e9-10
0.307
DAR-DIA-5d6f1b43-7
0.306
DAR-DIA-0f7b7cd9-5
0.306
VLA-UCB-05e51b3f-17
0.302
MIC-UNK-bcd487e9-9
0.302
PET-UNK-8922bd3c-1
0.301
DAR-DIA-5d6f1b43-12
0.301
PET-UNK-e8933450-1
0.300
MIC-UNK-c5a20098-1
0.299
ERI-UCB-d6de1f3c-2
0.297
PET-UNK-7a31b064-2
0.296
DAR-DIA-5d6f1b43-6
0.295
DAR-DIA-0f7b7cd9-4
0.294
MIC-UNK-c5a20098-3
0.292
MIC-UNK-02d7a284-1
0.292
DAR-DIA-b80f1cd7-2
0.289
MAT-POS-24589f88-14
0.288
DAR-DIA-b80f1cd7-1
0.288
BEN-DND-d1eb1f41-7
0.288
PET-UNK-c9c1e0d8-3
0.288
PET-UNK-689df078-4
0.288
MIC-UNK-91acba05-2
0.287
EDJ-MED-eb111c00-1
0.287
MIC-UNK-9582b2c5-3
0.287
DAR-DIA-5d6f1b43-13
0.287
ALP-UNI-dbb9503d-1
0.286
PET-UNK-7b413b46-5
0.286
PET-UNK-7b413b46-1
0.286
NAU-LAT-2fed8305-1
0.286
MIC-UNK-02d7a284-3
0.285
MIC-UNK-9582b2c5-2
0.285
EDJ-MED-ee07cf00-1
0.283
MIC-UNK-25b9c114-1
0.282
PET-UNK-194f9da3-2
0.282
MIC-UNK-cdc2493e-24
0.282
EDJ-MED-cf4b0d25-4
0.282
DAR-DIA-2964957d-9
0.282
ADA-UCB-6c2cb422-1
0.282
NAU-LAT-2fed8305-2
0.280
MIC-UNK-02d7a284-2
0.280
DAR-DIA-076fb6ea-11
0.280
PET-UNK-689df078-3
0.279
NAU-LAT-4ce8bf23-3
0.279
ALP-POS-76eab5ce-1
0.279
DAR-DIA-6a49afbe-1
0.279
ALP-POS-76eab5ce-2
0.279
MIC-UNK-cdc2493e-23
0.278
NIR-THE-1e03c142-1
0.277
PET-UNK-1320d94d-9
0.277
PET-UNK-1320d94d-10
0.277
PET-UNK-5eca9d1d-2
0.276
DAR-DIA-2964957d-1
0.276
RAL-THA-8416115c-2
0.276
MIC-UNK-91acba05-6
0.276
EDG-MED-5d232de5-5
0.276