Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 |
MW: | 366.08 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 2.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2106358763 |
Hetero_hetero
AAR-POS-d2a4d1df-11
MAR-TRE-04c86cea-49
0.627
MAK-UNK-69bf97dd-10
0.505
ALE-HEI-f28a35b5-8
0.474
MAK-UNK-009ebe36-3
0.446
SAD-SAT-135344c3-4
0.446
SAD-SAT-135344c3-5
0.441
FRA-FAC-9ed5a63a-3
0.427
FRA-FAC-9ed5a63a-4
0.424
MAR-TRE-2fd8122f-13
0.418
MAK-UNK-009ebe36-10
0.411
MAR-TRE-04c86cea-46
0.409
MAK-UNK-009ebe36-6
0.406
MAR-TRE-04c86cea-17
0.400
MAR-TRE-04c86cea-35
0.396
MAR-TRE-f6f5f473-23
0.396
SAD-SAT-689b7d5a-9
0.395
MAR-TRE-4b834d9a-65
0.392
MAK-UNK-009ebe36-5
0.384
MAR-TRE-d0525fbf-54
0.379
MAK-UNK-009ebe36-1
0.376
SAD-SAT-135344c3-3
0.371
CHR-SOS-f7373dd1-6
0.366
SAD-SAT-135344c3-2
0.365
CHR-SOS-f7373dd1-3
0.358
MAR-TRE-7f7bb9f0-33
0.358
MAK-UNK-009ebe36-4
0.356
MAR-TRE-2fd8122f-94
0.350
FRA-FAC-9ed5a63a-1
0.349
JOH-IMS-62aeb97d-3
0.349
AAR-POS-d2a4d1df-13
0.349
ALE-HEI-f28a35b5-9
0.349
MAR-TRE-d0525fbf-90
0.348
MAR-TRE-2fd8122f-31
0.343
MAK-UNK-009ebe36-2
0.343
KEI-TRE-d5e2018a-52
0.343
SAD-SAT-2fd372d1-7
0.341
ALE-MCD-4ac17b19-1
0.340
MAK-UNK-009ebe36-7
0.340
DAR-DIA-842b4336-1
0.337
BEN-DND-76ad4ac9-1
0.337
MAR-TRE-4b834d9a-63
0.337
JOH-IMS-62aeb97d-1
0.333
WIL-UNI-5578df48-30
0.333
MAR-TRE-d0525fbf-14
0.333
ZAC-WAB-3baddbb3-1
0.333
ZAC-WAB-d55a3c2e-2
0.333
DAR-DIA-842b4336-6
0.333
KEI-TRE-d5e2018a-79
0.333
CHR-SOS-e960e883-3
0.333
SAD-SAT-135344c3-1
0.333
MAK-UNK-d1e89583-2
0.333
MAR-TRE-2fd8122f-55
0.330
NAU-LAT-64f4b287-10
0.330
MAK-UNK-d1e89583-3
0.330
MED-UNK-e6e8ef8a-1
0.330
MED-UNK-e6e8ef8a-7
0.330
DAR-DIA-842b4336-2
0.329
MAR-TRE-2fd8122f-19
0.327
CHR-SOS-e960e883-2
0.327
MAR-TRE-2fd8122f-34
0.327
CHR-SOS-f7373dd1-4
0.326
MAR-TRE-be9ff7d2-42
0.326
BEN-DND-03ad4429-6
0.326
ALE-HEI-f28a35b5-16
0.326
MAK-UNK-6435e6c2-1
0.325
MAR-TRE-2fd8122f-30
0.324
MAR-TRE-2fd8122f-32
0.323
CHR-SOS-f7373dd1-5
0.322
MAK-UNK-d1e89583-7
0.322
AAR-POS-d2a4d1df-11
0.321
DOU-UNK-b5326f8f-19
0.320
CHR-SOS-e960e883-1
0.320
ASH-UNK-40b46b30-13
0.320
MAR-TRE-9c797165-52
0.319
CHR-SOS-f7373dd1-1
0.319
MAK-UNK-d1e89583-5
0.319
MED-UNK-e6e8ef8a-4
0.319
ALE-HEI-f28a35b5-4
0.318
MAR-TRE-2fd8122f-8
0.317
TAM-UNI-c140e31a-12
0.317
MAR-TRE-7f7bb9f0-68
0.316
MAR-TRE-2fd8122f-78
0.315
CHR-SOS-f7373dd1-2
0.315
SAD-SAT-689b7d5a-3
0.315
MED-UNK-e6e8ef8a-5
0.315
MED-UNK-e6e8ef8a-6
0.315
SAD-SAT-689b7d5a-7
0.314
MAR-TRE-2fd8122f-29
0.314
MAR-TRE-2fd8122f-44
0.313
SAD-SAT-135344c3-6
0.313
BEN-DND-03406596-5
0.312
BEN-DND-76ad4ac9-13
0.312
KEI-TRE-d5e2018a-53
0.311
MED-UNK-e6e8ef8a-3
0.311
FRA-FAC-9ed5a63a-2
0.311
MED-UNK-e6e8ef8a-2
0.311
MAR-TRE-6a44bbf2-52
0.310
ANN-UNI-26382800-3
0.310
MAK-UNK-10dfa458-4
0.310
DAR-DIA-842b4336-4
0.310