Molecular Properties | |
SMILES: | CC(=O)N1CCC2C(C1)CN(c1cncc3ccccc13)C(=O)N2c1cccc(Cl)c1 |
MW: | 434.15 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 56.75 |
cLogP: | 4.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-9582b2c5-2
0.552
MIC-UNK-9582b2c5-1
0.538
PET-UNK-7be94445-2
0.505
PET-UNK-7be94445-1
0.479
DAR-DIA-0f7b7cd9-7
0.464
MIC-UNK-d854bf4c-3
0.464
DAR-DIA-5d6f1b43-10
0.453
MIC-UNK-d854bf4c-1
0.450
EDG-MED-5d232de5-8
0.431
GIA-UNK-80c9bc96-1
0.431
EDG-MED-5d232de5-7
0.431
PET-UNK-c9c1e0d8-4
0.431
MAT-POS-24589f88-14
0.423
PET-UNK-c9c1e0d8-3
0.423
BEN-DND-d1eb1f41-7
0.423
ERI-UCB-d6de1f3c-7
0.421
DAR-DIA-5d6f1b43-12
0.421
VLA-UCB-1dbca3b4-3
0.420
MIC-UNK-cdc2493e-18
0.418
MAT-POS-d8472c4f-1
0.417
MAT-POS-8695a11f-3
0.417
MAT-POS-8695a11f-1
0.417
VLA-UCB-1dbca3b4-13
0.417
MIC-UNK-d854bf4c-4
0.407
ALP-UNI-dbb9503d-1
0.406
DAR-DIA-0f7b7cd9-5
0.404
MIC-UNK-cdc2493e-17
0.404
MAT-UCL-e2ab2224-1
0.404
ALP-UNI-58319883-2
0.402
PET-UNK-431b3bfb-1
0.402
EDJ-MED-96f6b92c-1
0.398
MIC-UNK-d854bf4c-7
0.397
MIC-UNK-d854bf4c-2
0.395
EDJ-MED-33064c06-18
0.393
MIC-UNK-02d7a284-3
0.393
DAR-DIA-6be260fc-3
0.393
DAR-DIA-0f7b7cd9-6
0.392
ALP-UNI-dbb9503d-2
0.391
PET-UNK-7a31b064-2
0.387
MIC-UNK-0a05c952-2
0.387
MAT-POS-50a80394-4
0.387
PET-UNK-7a31b064-1
0.385
PET-UNK-3e354a91-1
0.385
MIC-UNK-c5a20098-1
0.385
MIC-UNK-d854bf4c-5
0.385
DAR-DIA-0f7b7cd9-10
0.385
PET-UNK-194f9da3-2
0.384
DAR-DIA-6be260fc-4
0.383
PET-UNK-4dc48bbe-6
0.381
VLA-UCB-1dbca3b4-17
0.381
PET-UNK-7b413b46-2
0.381
PET-UNK-7b413b46-6
0.381
JUL-TUD-06b2044f-112
0.380
VLA-UNK-f2612802-1
0.379
EDJ-MED-8bb691af-8
0.378
MIK-ENA-794411b8-1
0.378
PET-UNK-14142a25-1
0.378
PET-UNK-14142a25-10
0.378
LUO-POS-9931618f-1
0.378
MIK-ENA-37e0b697-1
0.378
LUO-POS-9931618f-2
0.378
MIK-ENA-99706bb8-1
0.378
MIK-ENA-17e27e9c-1
0.378
MIK-ENA-623fe2a6-1
0.378
MIK-ENA-2c0ad173-1
0.378
MAT-POS-50a80394-1
0.378
EDJ-MED-33064c06-1
0.376
MAT-POS-50a80394-5
0.375
MIC-UNK-257d841f-1
0.375
JAG-UCB-f37eaa14-3
0.375
MAT-POS-54c4bf04-3
0.375
MAT-POS-b3212acf-2
0.375
PET-UNK-194f9da3-1
0.375
ALP-POS-4483ae88-2
0.374
EDJ-MED-28b38b9b-1
0.374
MAT-POS-50a80394-6
0.374
EDJ-MED-976a33d5-3
0.374
DAR-DIA-5d6f1b43-20
0.374
PET-UNK-689df078-3
0.374
DAR-DIA-5d6f1b43-8
0.374
EDJ-MED-33064c06-5
0.373
EDJ-MED-33064c06-12
0.373
PET-UNK-5ddd54c7-2
0.373
MAT-POS-b3212acf-1
0.372
MAT-POS-50a80394-3
0.372
EDJ-MED-28b38b9b-3
0.372
JOH-MSK-4bb3d434-1
0.372
DAR-DIA-6a49afbe-4
0.372
VLA-UNK-5d8210f0-5
0.371
PET-UNK-689df078-4
0.370
ERI-UCB-d6de1f3c-6
0.369
ERI-UCB-d6de1f3c-5
0.369
EDJ-MED-159244ea-1
0.368
MAT-POS-983b399a-1
0.368
ALP-POS-477dc5b7-4
0.368
EDJ-MED-4cb9dd84-1
0.368
ALP-POS-ce760d3f-8
0.368
PET-UNK-4dc48bbe-4
0.368
VLA-UNK-db5e3064-2
0.368
DAR-DIA-6be260fc-2
0.368