Molecular Properties | |
SMILES: | CC1(C(=O)Nc2cncc3cnccc23)CC1c1cc(Cl)cc(Cl)c1 |
MW: | 371.06 |
Fraction sp3: | 0.21 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 54.88 |
cLogP: | 5.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-b566c0b0-5
0.463
PET-UNK-b78139fa-18
0.452
VLA-UNK-82501c2c-1
0.434
MAT-POS-bb423b95-1
0.429
PET-UNK-4b4f2bb7-9
0.429
JUL-TUD-06b2044f-45
0.426
PET-UNK-f4e47ebd-10
0.423
PET-UNK-f4e47ebd-24
0.416
PET-UNK-f4e47ebd-21
0.410
PET-UNK-b78139fa-9
0.409
PET-UNK-1e13ef09-5
0.406
ALP-POS-ce760d3f-2
0.400
BEN-DND-4f474d93-3
0.400
BEN-DND-4f474d93-1
0.400
PET-UNK-2c6614b6-9
0.396
ALP-UNI-8d415491-3
0.394
BEN-DND-34fc7f90-4
0.392
BEN-DND-34fc7f90-1
0.389
BEN-DND-34fc7f90-7
0.389
VLA-UNK-56836b69-4
0.389
JUL-TUD-06b2044f-46
0.388
PET-UNK-f4e47ebd-28
0.387
JUL-TUD-06b2044f-84
0.386
PET-UNK-f4e47ebd-14
0.379
JUL-TUD-06b2044f-47
0.375
PET-UNK-f4e47ebd-6
0.374
MAT-POS-22e8b45a-2
0.343
RAL-THA-176e263b-4
0.343
EDJ-MED-e4b030d8-1
0.340
VLA-UCB-1dbca3b4-14
0.340
JOH-UNI-e398da21-1
0.337
EDJ-MED-2f867453-2
0.333
JUL-TUD-06b2044f-83
0.330
EDJ-MED-2f867453-1
0.330
DAR-DIA-0d514e7d-28
0.327
DAR-DIA-0d514e7d-29
0.327
UNK-UNK-2ede4078-35
0.327
MAT-POS-c74bc7b3-1
0.327
MAT-POS-8e4737f4-1
0.327
DAR-DIA-6a508060-10
0.327
EDJ-MED-e4b030d8-13
0.327
BEN-DND-a7517465-4
0.327
MAT-POS-c74bc7b3-2
0.327
DAR-DIA-0d514e7d-30
0.327
EDJ-MED-9e38fd34-2
0.323
EDJ-MED-9e38fd34-1
0.323
EDJ-MED-9e38fd34-3
0.323
MAT-POS-45b13633-2
0.321
ALP-POS-f1807566-3
0.321
MAT-POS-22e8b45a-3
0.321
PET-UNK-407a74a5-3
0.321
RAL-THA-176e263b-1
0.321
PET-UNK-b566c0b0-6
0.321
MAT-POS-e6dd326d-2
0.321
DAR-DIA-0d514e7d-27
0.321
PET-UNK-407a74a5-8
0.320
EDG-MED-971238d3-11
0.320
MAT-POS-2905de8c-2
0.320
NAU-LAT-2fed8305-2
0.319
BEN-DND-61647d40-15
0.319
ANU-FNM-72f8c13c-1
0.318
MIC-UNK-ea4eb352-4
0.317
RAL-THA-176e263b-3
0.317
MIC-UNK-ea4eb352-7
0.317
MAT-POS-83f73d0a-3
0.317
MAT-POS-806462de-1
0.317
MAT-POS-806462de-2
0.317
EDJ-MED-4f704dc9-1
0.317
ALP-POS-1cbc2fae-1
0.317
MAT-POS-fb82b63d-2
0.317
EDJ-MED-c3ea9889-7
0.317
EDJ-MED-c3ea9889-5
0.315
DAR-DIA-0d514e7d-25
0.315
DAR-DIA-0d514e7d-26
0.315
MAT-POS-fce787c2-2
0.315
ADA-UCB-dc2b944c-4
0.314
LUO-POS-433ce175-1
0.314
MAT-POS-2905de8c-3
0.314
NAU-LAT-2fed8305-7
0.312
MAT-POS-c88128cb-14
0.312
PET-UNK-f9b7ae87-5
0.312
UNK-UNK-2ede4078-23
0.312
PET-UNK-f4e47ebd-17
0.311
EDJ-MED-611d11e7-10
0.311
MAT-POS-a5ef2d74-3
0.311
MIC-UNK-6e9f8a43-2
0.311
MIC-UNK-ea4eb352-3
0.311
PET-UNK-407a74a5-18
0.311
ALP-POS-e266d783-2
0.311
MAT-POS-89bd6af1-3
0.311
MAT-UNK-28cf4d29-1
0.311
MAT-POS-e6dd326d-1
0.311
MAT-POS-45b13633-1
0.311
MAT-POS-d8472c4f-3
0.311
PET-UNK-1b92fa34-5
0.311
EDG-MED-971238d3-5
0.311
MAT-POS-2bb0cf2b-1
0.311
MAT-POS-2e8b2191-5
0.311
MAR-UCB-6ab2ec87-3
0.311
MAT-POS-2e8b2191-2
0.311