Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)C1CC(C2CC2Cl)C1 |
| MW: | None |
| Fraction sp3: | None |
| HBA: | None |
| HBD: | None |
| Rotatable Bonds: | None |
| TPSA: | None |
| cLogP: | None |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
secondary_halide_sulfate
Alkyl Halide
VLA-UCB-1dbca3b4-15
MAT-POS-590ac91e-18
0.741
MAT-POS-590ac91e-21
0.556
MAT-POS-590ac91e-26
0.540
MAT-POS-590ac91e-19
0.516
ERI-UCB-5b47150d-6
0.508
MAK-UNK-6435e6c2-8
0.491
AAR-POS-d2a4d1df-3
0.491
MAT-POS-590ac91e-8
0.485
DAR-DIA-6a508060-11
0.478
MAT-POS-590ac91e-12
0.477
MAT-POS-590ac91e-22
0.477
MAK-UNK-6ca90168-27
0.474
MAK-UNK-6ca90168-26
0.466
MAT-POS-590ac91e-28
0.464
SAD-SAT-7d5528d9-7
0.456
MAT-POS-590ac91e-23
0.455
ERI-UCB-5b47150d-4
0.452
MAT-POS-590ac91e-10
0.448
SAD-SAT-7d5528d9-26
0.438
BEN-DND-93268d01-11
0.433
MAT-POS-590ac91e-6
0.424
BEN-DND-09b88bf4-3
0.423
NAU-LAT-3f5f3993-5
0.423
BEN-DND-6de5dfa0-3
0.423
ALE-HEI-f28a35b5-12
0.422
ALE-HEI-f28a35b5-13
0.422
MAT-POS-590ac91e-11
0.422
ERI-UCB-5b47150d-1
0.419
MAT-POS-590ac91e-1
0.419
MAT-POS-590ac91e-2
0.419
ASH-SAT-43770c7d-9
0.419
ALE-HEI-f28a35b5-7
0.418
MAT-POS-590ac91e-7
0.418
TRY-UNI-714a760b-11
0.418
MAT-POS-590ac91e-5
0.418
ADA-UCB-6c2cb422-2
0.416
EDJ-MED-3c65e9ce-4
0.414
DAR-DIA-6a508060-6
0.412
BRU-CON-c4e3408a-1
0.412
JAN-GHE-f4ca5a00-13
0.412
MAT-POS-b3e365b9-3
0.412
MAT-POS-b3e365b9-4
0.412
TRY-UNI-714a760b-10
0.412
BEN-DND-09b88bf4-5
0.412
BEN-DND-93268d01-9
0.412
ALE-HEI-f28a35b5-6
0.412
EDG-MED-0da5ad92-4
0.412
TRY-UNI-714a760b-5
0.409
ALE-HEI-f28a35b5-17
0.409
SCO-VAN-260d9628-1
0.409
MAT-POS-590ac91e-14
0.408
BEN-DND-93268d01-10
0.406
MAT-POS-590ac91e-4
0.406
MAT-POS-590ac91e-24
0.406
IND-SYN-2c708b29-2
0.404
TRY-UNI-714a760b-16
0.400
BEN-DND-93268d01-8
0.400
MAT-POS-590ac91e-3
0.400
MAT-POS-590ac91e-13
0.400
MAT-POS-590ac91e-15
0.400
EDJ-MED-3c65e9ce-1
0.400
MAK-UNK-372b0df5-1
0.397
AHN-SAT-202241f6-1
0.397
TRY-UNI-714a760b-17
0.397
MAT-POS-590ac91e-9
0.397
NAU-LAT-3f5f3993-2
0.394
MAT-POS-5d20d11c-1
0.394
MAT-POS-590ac91e-16
0.394
TRY-UNI-714a760b-4
0.394
ALE-HEI-f28a35b5-1
0.394
SIM-DEM-4fb93ec7-1
0.392
BEN-DND-6de5dfa0-16
0.392
NIR-THE-b7e8e081-2
0.392
TRY-UNI-2eddb1ff-3
0.389
JAN-GHE-83b26c96-11
0.388
BEN-DND-6de5dfa0-14
0.387
EDJ-MED-c9f55a56-1
0.386
EDG-MED-0da5ad92-9
0.384
MAT-POS-590ac91e-29
0.384
BEN-DND-6de5dfa0-5
0.384
PET-SGC-6e7c5dc0-1
0.382
DAR-DIA-0cde14eb-66
0.382
BEN-DND-6de5dfa0-15
0.382
JAG-UCB-cedd89ab-8
0.380
TRY-UNI-714a760b-12
0.380
TRY-UNI-2eddb1ff-2
0.380
EDG-MED-0da5ad92-8
0.380
BEN-DND-6de5dfa0-10
0.380
DAR-DIA-0cde14eb-71
0.380
TRY-UNI-714a760b-18
0.378
NIR-THE-b7e8e081-1
0.378
BEN-DND-03406596-7
0.378
BEN-DND-6de5dfa0-4
0.378
TRY-UNI-2eddb1ff-4
0.378
TRY-UNI-2eddb1ff-5
0.378
JAN-GHE-83b26c96-4
0.378
JAN-GHE-83b26c96-5
0.378
BEN-DND-09b88bf4-4
0.378
BEN-DND-09b88bf4-2
0.378
BEN-DND-6de5dfa0-1
0.378