Molecular Properties | |
SMILES: | Cc1c(C2CCCCC2)cc(-c2cncc3ccccc23)c(=O)n1-c1cccc(Cl)c1 |
MW: | 428.17 |
Fraction sp3: | 0.26 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 34.89 |
cLogP: | 7.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-5d6f1b43-17
0.617
DAR-DIA-5d6f1b43-16
0.602
DAR-DIA-5d6f1b43-14
0.598
DAR-DIA-5d6f1b43-15
0.591
DAR-DIA-5d6f1b43-19
0.582
DAR-DIA-5d6f1b43-22
0.557
DAR-DIA-5d6f1b43-9
0.538
DAR-DIA-5d6f1b43-26
0.448
DAR-DIA-5d6f1b43-2
0.447
DAR-DIA-5d6f1b43-18
0.447
DAR-DIA-5d6f1b43-23
0.442
DAR-DIA-5d6f1b43-20
0.430
PET-UNK-b870596d-1
0.423
DAR-DIA-5d6f1b43-32
0.411
DAR-DIA-5d6f1b43-31
0.411
DAR-DIA-5d6f1b43-28
0.407
DAR-DIA-5d6f1b43-33
0.400
PET-UNK-b870596d-2
0.400
DAR-DIA-5d6f1b43-30
0.398
DAR-DIA-5d6f1b43-25
0.391
DAR-DIA-5d6f1b43-24
0.384
DAR-DIA-5d6f1b43-29
0.374
DAR-DIA-0f7b7cd9-6
0.370
DAR-DIA-5d6f1b43-27
0.361
ERI-UCB-d6de1f3c-7
0.361
PET-UNK-e8933450-1
0.349
DAR-DIA-0f7b7cd9-7
0.343
PET-UNK-7be94445-1
0.343
PET-UNK-94460c07-1
0.343
ERI-UCB-d6de1f3c-5
0.339
PET-UNK-7be94445-2
0.337
MIC-UNK-c5a20098-1
0.337
MIC-UNK-c5a20098-2
0.336
PET-UNK-c9c1e0d8-3
0.336
DAR-DIA-5d6f1b43-12
0.336
VLA-UCB-1dbca3b4-3
0.330
MIC-UNK-9582b2c5-2
0.328
MAT-POS-54c4bf04-3
0.327
PET-UNK-4dc48bbe-4
0.321
DAR-DIA-5d6f1b43-10
0.319
VLA-UCB-1dbca3b4-13
0.318
DAR-DIA-5d6f1b43-3
0.318
ERI-UCB-d6de1f3c-6
0.317
MIC-UNK-c5a20098-3
0.315
DAR-DIA-53551c05-12
0.315
PET-UNK-94460c07-2
0.312
DAR-DIA-f6ee7aeb-6
0.311
VLA-UCB-1dbca3b4-12
0.311
VLA-UCB-34f3ed0c-6
0.310
ALP-UNI-dbb9503d-2
0.310
PET-UNK-7b413b46-5
0.309
ALP-UNI-dbb9503d-1
0.309
ERI-UCB-d6de1f3c-2
0.309
PET-UNK-7b413b46-1
0.309
PET-UNK-7b413b46-2
0.308
PET-UNK-4dc48bbe-6
0.308
PET-UNK-7b413b46-6
0.308
VLA-UCB-1dbca3b4-17
0.308
MIC-UNK-9582b2c5-3
0.308
MIC-UNK-c66144cb-6
0.308
MIC-UNK-0a05c952-2
0.307
MIC-UNK-5a93dd5f-2
0.307
MAT-POS-173a45da-1
0.307
MIC-UNK-bcd487e9-2
0.307
MIC-UNK-02d7a284-3
0.306
PET-UNK-c9c1e0d8-4
0.306
GIA-UNK-80c9bc96-1
0.306
EDG-MED-5d232de5-8
0.306
EDG-MED-5d232de5-7
0.306
PET-UNK-a17c93d1-1
0.305
EDJ-MED-c314995a-1
0.304
VLA-UCB-05e51b3f-14
0.304
DAR-DIA-5d6f1b43-8
0.303
PET-UNK-689df078-3
0.303
PET-UNK-7b413b46-3
0.301
PET-UNK-7b413b46-7
0.301
MAT-POS-24589f88-14
0.300
BEN-DND-d1eb1f41-7
0.300
PET-UNK-689df078-4
0.300
MIC-UNK-0a05c952-1
0.298
MIC-UNK-91acba05-2
0.298
EDJ-MED-eb111c00-1
0.298
VLA-UCB-1dbca3b4-10
0.297
VLA-UCB-1dbca3b4-18
0.297
PET-UNK-abc197b8-1
0.297
PET-UNK-689df078-1
0.297
PET-UNK-1320d94d-10
0.297
PET-UNK-1320d94d-9
0.297
ALP-POS-3b848b35-4
0.297
MIC-UNK-c66144cb-3
0.297
ALP-POS-ce760d3f-8
0.296
VLA-UCB-1dbca3b4-6
0.296
DAR-DIA-5d6f1b43-1
0.296
MIC-UNK-5a93dd5f-1
0.296
PET-UNK-7a31b064-2
0.296
MIC-UNK-9582b2c5-1
0.295
VLA-UNK-db5e3064-1
0.295
PET-UNK-689df078-2
0.295
DAR-DIA-0f7b7cd9-5
0.294
DAR-DIA-2964957d-9
0.294