Molecular Properties | |
SMILES: | CN1CCN(c2cc(-c3cncc4ccccc34)c(=O)n(-c3cccc(Cl)c3)c2)CC1 |
MW: | 430.16 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 41.37 |
cLogP: | 4.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-5d6f1b43-20
0.807
DAR-DIA-5d6f1b43-23
0.670
DAR-DIA-5d6f1b43-17
0.585
DAR-DIA-5d6f1b43-26
0.585
DAR-DIA-5d6f1b43-22
0.574
DAR-DIA-5d6f1b43-2
0.547
DAR-DIA-5d6f1b43-28
0.529
DAR-DIA-5d6f1b43-30
0.514
DAR-DIA-5d6f1b43-25
0.485
DAR-DIA-5d6f1b43-14
0.485
DAR-DIA-5d6f1b43-32
0.480
DAR-DIA-5d6f1b43-31
0.480
DAR-DIA-5d6f1b43-15
0.480
DAR-DIA-5d6f1b43-19
0.476
DAR-DIA-5d6f1b43-33
0.466
DAR-DIA-5d6f1b43-24
0.462
DAR-DIA-5d6f1b43-16
0.460
DAR-DIA-5d6f1b43-9
0.457
DAR-DIA-5d6f1b43-21
0.447
DAR-DIA-5d6f1b43-27
0.432
DAR-DIA-5d6f1b43-29
0.431
PET-UNK-b870596d-2
0.427
PET-UNK-b870596d-1
0.421
MAT-POS-54c4bf04-3
0.392
PET-UNK-4dc48bbe-4
0.370
ADA-UCB-6c2cb422-6
0.364
PET-UNK-7be94445-2
0.361
MIC-UNK-c5a20098-1
0.360
DAR-DIA-5d6f1b43-7
0.360
PET-UNK-7be94445-1
0.354
VLA-UCB-1dbca3b4-3
0.354
VLA-UCB-1dbca3b4-13
0.353
BEN-DND-d1eb1f41-7
0.346
MIC-UNK-c5a20098-2
0.346
MAT-POS-24589f88-14
0.346
ERI-UCB-d6de1f3c-7
0.346
DAR-DIA-5d6f1b43-1
0.343
DAR-DIA-0f7b7cd9-7
0.340
PET-UNK-94460c07-1
0.340
PET-UNK-689df078-3
0.337
ERI-UCB-d6de1f3c-2
0.330
DAR-DIA-5d6f1b43-10
0.327
DAR-DIA-0f7b7cd9-6
0.327
MIC-UNK-9582b2c5-2
0.325
MIC-UNK-c5a20098-3
0.324
DAR-DIA-b80f1cd7-2
0.321
DAR-DIA-5d6f1b43-12
0.321
DAR-DIA-5d6f1b43-11
0.321
PET-UNK-c9c1e0d8-3
0.321
ALP-UNI-dbb9503d-1
0.318
MIC-UNK-9582b2c5-3
0.316
DAR-DIA-5d6f1b43-3
0.314
DAR-DIA-0f7b7cd9-5
0.314
DAR-DIA-2964957d-9
0.314
PET-UNK-194f9da3-2
0.312
DAR-DIA-53551c05-12
0.312
EDJ-MED-96f6b92c-1
0.312
PET-UNK-7a31b064-1
0.312
DAR-DIA-5d6f1b43-8
0.311
MIC-UNK-02d7a284-1
0.310
JOH-MSK-51c67e7d-1
0.310
JOH-MSK-51c67e7d-2
0.310
PET-UNK-94460c07-2
0.309
PET-UNK-e8933450-1
0.308
PET-UNK-689df078-4
0.308
DAR-DIA-5d6f1b43-5
0.308
NIR-THE-1e03c142-1
0.307
MIC-UNK-cdc2493e-17
0.306
ALP-UNI-dbb9503d-2
0.306
PET-UNK-abc197b8-1
0.306
VLA-UCB-1dbca3b4-18
0.306
LUO-POS-ed2cfb03-1
0.303
MIC-UNK-02d7a284-3
0.303
MIC-UNK-a28eba03-2
0.302
EDG-MED-5d232de5-8
0.302
GIA-UNK-80c9bc96-1
0.302
MAT-POS-8695a11f-3
0.302
MAT-POS-d8472c4f-1
0.302
PET-UNK-c9c1e0d8-4
0.302
EDG-MED-5d232de5-7
0.302
MAT-POS-8695a11f-1
0.302
DAR-DIA-b80f1cd7-13
0.302
EDJ-MED-2791eece-2
0.301
EDJ-MED-b774e9fe-1
0.301
MAT-POS-fb82b63d-2
0.300
DAR-DIA-b80f1cd7-11
0.299
DAR-DIA-b80f1cd7-14
0.299
JOH-MSK-1f2dff76-4
0.298
MIC-UNK-cdc2493e-18
0.298
JOH-MSK-1f2dff76-3
0.298
MIC-UNK-bcd487e9-9
0.298
MIC-UNK-02d7a284-2
0.298
LUO-POS-433ce175-1
0.297
MIC-UNK-cdc2493e-23
0.297
PET-UNK-8922bd3c-1
0.297
DAR-DIA-b80f1cd7-12
0.297
DAR-DIA-b80f1cd7-1
0.296
DAR-DIA-5d6f1b43-4
0.296
EDJ-MED-487c5e9f-10
0.295
DAR-DIA-0d514e7d-22
0.295