Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)[C@@H]1CCc2ccc(Cl)cc21 |
MW: | 286.09 |
Fraction sp3: | 0.25 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 41.99 |
cLogP: | 3.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-6a508060-6
0.575
BRU-CON-c4e3408a-1
0.575
MAT-POS-b3e365b9-3
0.575
JAN-GHE-f4ca5a00-13
0.575
MAT-POS-b3e365b9-4
0.575
MIC-UNK-91acba05-4
0.440
ALP-POS-477dc5b7-1
0.440
DAR-DIA-23e5a6a0-13
0.436
DAR-DIA-23e5a6a0-20
0.434
MAT-POS-590ac91e-22
0.434
MAT-POS-590ac91e-18
0.427
MAT-POS-590ac91e-19
0.427
DAR-DIA-23e5a6a0-15
0.426
DAR-DIA-23e5a6a0-18
0.426
MAT-POS-590ac91e-21
0.423
DAR-DIA-23e5a6a0-17
0.422
DAR-DIA-23e5a6a0-12
0.417
PET-UNK-158bee2a-6
0.417
DAR-DIA-6a508060-12
0.416
DAR-DIA-23e5a6a0-11
0.413
DAR-DIA-23e5a6a0-16
0.413
MAR-TRE-4b834d9a-26
0.413
EDJ-MED-343bb62d-3
0.412
DAR-DIA-23e5a6a0-14
0.410
DAR-DIA-23e5a6a0-19
0.410
MAK-UNK-f203cb68-16
0.407
SAD-SAT-7d5528d9-7
0.407
JAG-UCB-cedd89ab-8
0.405
TRY-UNI-714a760b-12
0.405
ERI-UCB-5b47150d-6
0.403
TRY-UNI-2eddb1ff-5
0.402
TRY-UNI-2eddb1ff-4
0.402
JAN-GHE-83b26c96-5
0.402
JAN-GHE-83b26c96-4
0.402
TRY-UNI-714a760b-18
0.402
PET-UNK-158bee2a-8
0.400
MAT-POS-6c3d76b3-1
0.398
MAT-POS-0d6fb2dd-1
0.398
MAT-POS-590ac91e-12
0.397
TRY-UNI-2eddb1ff-3
0.395
AAR-POS-d2a4d1df-3
0.394
MAK-UNK-6435e6c2-8
0.394
EDJ-MED-ee742daa-4
0.394
MAT-POS-590ac91e-26
0.392
MAT-POS-590ac91e-10
0.392
ERI-UCB-5b47150d-4
0.392
MAK-UNK-919546f0-1
0.391
MAK-UNK-f481d203-1
0.391
MAK-UNK-f481d203-2
0.391
EDJ-MED-e9694d2b-1
0.391
ERI-UCB-9c7ec71b-2
0.391
MAT-POS-590ac91e-28
0.390
EDG-MED-0da5ad92-10
0.390
JAN-GHE-83b26c96-22
0.390
RAL-THA-5ed3c24e-1
0.389
MAT-POS-590ac91e-8
0.388
ALE-HEI-f28a35b5-13
0.387
MAK-UNK-6ca90168-27
0.386
TRY-UNI-714a760b-11
0.385
ALE-HEI-f28a35b5-7
0.385
MAT-POS-590ac91e-5
0.385
MAK-UNK-6ca90168-24
0.383
TRY-UNI-714a760b-6
0.383
EDG-MED-0da5ad92-5
0.381
JAN-GHE-83b26c96-9
0.381
MAK-UNK-6ca90168-26
0.380
EDG-MED-0da5ad92-3
0.378
EDG-MED-0da5ad92-19
0.378
JAN-GHE-83b26c96-20
0.376
EDG-MED-0da5ad92-11
0.376
LON-WEI-0a73fcb8-7
0.376
NAU-LAT-b7d8c353-6
0.376
BAR-COM-0f94fc3d-41
0.375
PET-UNK-f4e47ebd-10
0.374
MAK-UNK-f203cb68-18
0.373
JAN-GHE-83b26c96-10
0.372
MAT-POS-c9973a83-1
0.372
PET-UNK-1e13ef09-5
0.371
MAK-UNK-f203cb68-15
0.371
TRY-UNI-2eddb1ff-2
0.370
EDG-MED-0da5ad92-8
0.370
TRY-UNI-714a760b-16
0.370
ALE-HEI-f28a35b5-12
0.368
TRY-UNI-2eddb1ff-8
0.368
MAT-POS-1e5f28a7-1
0.368
MAT-POS-590ac91e-7
0.367
PET-UNK-7f7e354d-6
0.366
PET-UNK-f4e47ebd-9
0.366
PET-UNK-b1ef24dc-36
0.366
NAU-LAT-3f5f3993-2
0.366
EDG-MED-0da5ad92-6
0.366
MAT-POS-8293a91a-1
0.366
MAK-UNK-f203cb68-6
0.366
MAT-POS-590ac91e-1
0.365
MAT-POS-590ac91e-2
0.365
ERI-UCB-5b47150d-1
0.365
ASH-SAT-43770c7d-9
0.365
ALP-POS-f13221e1-4
0.365
JAN-GHE-83b26c96-23
0.365
PET-UNK-1e13ef09-6
0.364