Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)CCNc1ccc(S(N)(=O)=O)cc1 |
MW: | 334.401 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 114.18 |
cLogP: | 1.47812 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-338-962 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-04-27 |
MAK-UNK-6435e6c2-8
GAB-REV-70cc3ca5-20
0.612
GAB-REV-70cc3ca5-12
0.551
PET-SGC-83d43576-1
0.545
PED-UNI-292b67d6-1
0.533
ALE-HEI-f28a35b5-12
0.515
EDJ-MED-e58735b6-3
0.500
GAB-REV-70cc3ca5-21
0.500
PET-SGC-d0fd10df-1
0.494
PET-SGC-6e7c5dc0-1
0.493
MAK-UNK-6ca90168-26
0.492
RAL-THA-6b94ceba-13
0.487
PET-SGC-05cff2e1-1
0.483
BEN-DND-93268d01-7
0.480
PET-SGC-2e937068-1
0.474
MAK-UNK-372b0df5-3
0.473
MAT-POS-590ac91e-10
0.472
ALE-HEI-f28a35b5-10
0.472
ASH-SAT-43770c7d-9
0.470
HAR-NEW-e34cb1ae-4
0.468
RAL-THA-6b94ceba-15
0.463
BEN-DND-93268d01-5
0.459
CHR-SOS-e960e883-6
0.459
TRY-UNI-714a760b-5
0.457
MIH-UNI-6b9ca91a-3
0.453
BEN-DND-93268d01-4
0.453
CHR-SOS-1f323c23-12
0.451
CHR-SOS-e960e883-5
0.448
MAT-POS-590ac91e-17
0.446
NAU-LAT-0543f7f2-6
0.446
MAT-POS-590ac91e-9
0.444
MAT-POS-590ac91e-7
0.444
CHR-SOS-1f323c23-9
0.440
MAT-POS-590ac91e-23
0.438
ALE-HEI-f28a35b5-3
0.438
CHR-SOS-e960e883-4
0.438
JAN-GHE-83b26c96-11
0.437
ALP-POS-f13221e1-4
0.436
WIL-MOD-03b86a88-6
0.434
NAU-LAT-0543f7f2-7
0.434
EDJ-MED-c9f55a56-1
0.432
CHR-SOS-363cfb78-8
0.432
MAT-POS-590ac91e-6
0.431
BEN-DND-93268d01-6
0.430
NAU-LAT-0543f7f2-5
0.430
MAT-POS-590ac91e-11
0.429
BEN-DND-6de5dfa0-3
0.429
BEN-DND-09b88bf4-3
0.429
NAU-LAT-3f5f3993-5
0.429
MAK-UNK-372b0df5-2
0.427
ANN-UNI-98d2bf15-1
0.427
JOH-UNI-abfda500-6
0.427
CHR-SOS-1f323c23-3
0.425
BEN-DND-22e6b372-3
0.423
RAL-THA-6b94ceba-14
0.422
RAL-THA-6b94ceba-16
0.422
YUE-FRA-7d798063-1
0.422
TRY-UNI-714a760b-6
0.421
BEN-DND-93268d01-13
0.421
NAU-LAT-0543f7f2-8
0.420
MAK-UNK-6435e6c2-8
0.419
AAR-POS-d2a4d1df-3
0.419
BEN-DND-93268d01-9
0.419
TRY-UNI-714a760b-10
0.419
BEN-DND-09b88bf4-5
0.419
BEN-DND-93268d01-11
0.419
MIH-UNI-6b9ca91a-1
0.419
ALE-HEI-f28a35b5-6
0.419
EDG-MED-0da5ad92-4
0.419
ANN-UNI-98d2bf15-2
0.418
BEN-DND-6de5dfa0-7
0.418
BEN-DND-09b88bf4-6
0.418
ALP-POS-95b75b4d-1
0.416
BEN-DND-22e6b372-4
0.416
BEN-DND-93268d01-10
0.413
MAT-POS-590ac91e-24
0.413
ASH-UNK-40b46b30-10
0.409
ALE-HEI-f28a35b5-13
0.408
MAT-POS-590ac91e-15
0.408
EDG-MED-0da5ad92-8
0.408
BEN-DND-93268d01-8
0.408
TRY-UNI-2eddb1ff-2
0.408
EDJ-MED-3c65e9ce-1
0.408
DAR-DIA-0cde14eb-79
0.407
DAR-DIA-0cde14eb-78
0.407
MAT-POS-590ac91e-25
0.405
WIL-MOD-03b86a88-5
0.405
RAL-THA-6b94ceba-12
0.405
EDJ-MED-3c65e9ce-4
0.403
EDJ-MED-e58735b6-2
0.403
JAN-GHE-83b26c96-13
0.403
ALP-POS-95b75b4d-2
0.403
DAR-DIA-0cde14eb-64
0.402
DAR-DIA-0cde14eb-61
0.402
DAR-DIA-0cde14eb-76
0.400
BEN-DND-6de5dfa0-16
0.400
JAN-GHE-83b26c96-14
0.400
ALP-POS-95b75b4d-3
0.400
NIR-THE-b7e8e081-2
0.400
DAR-DIA-0cde14eb-63
0.398
DAR-DIA-0cde14eb-2
0.398