Molecular Properties | |
SMILES: | CC(NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1nnc2ccccn12 |
MW: | 399.14 |
Fraction sp3: | 0.32 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 96.67 |
cLogP: | 2.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z131524848 |
Enamine REAL: | Z131524848 |
Mcule: | MCULE-1706103695 |
MolPort: | MolPort-004-211-292 |
Hetero_hetero
WIL-UNI-d4749f31-45
0.500
WIL-UNI-d4749f31-28
0.462
MAR-TRE-a9136c7b-67
0.394
AAR-UNI-c25c2f1e-26
0.355
MAR-TRE-fd17a9b8-56
0.340
KEI-TRE-d5e2018a-22
0.333
WIL-UNI-2a57d06c-28
0.333
AHN-SAT-de2502ba-6
0.333
MAR-TRE-6a44bbf2-43
0.333
KEN-MCD-6084b33e-1
0.316
MAK-UNK-7c9d1431-11
0.316
TAT-ENA-80bfd3e5-43
0.316
MAR-TRE-6a44bbf2-65
0.316
AHN-SAT-de2502ba-5
0.312
SAD-SAT-1f400d17-2
0.300
IND-SYN-6c8299e8-7
0.294
ANT-OPE-7824651a-2
0.284
MAK-UNK-69bf97dd-1
0.282
AHN-SAT-de2502ba-19
0.281
MAK-UNK-009ebe36-7
0.279
MAR-TRE-fd17a9b8-4
0.279
MAR-TRE-d0525fbf-45
0.277
MAK-UNK-6435e6c2-5
0.275
AHN-SAT-de2502ba-10
0.273
BAR-COM-4e090d3a-2
0.270
BEN-DND-03406596-3
0.270
PEI-IMP-ca0b2813-3
0.270
BEN-DND-76ad4ac9-14
0.270
SAD-SAT-2fd372d1-3
0.269
MAR-TRE-6a44bbf2-89
0.269
MAR-TRE-4f781e27-38
0.267
ANT-OPE-7824651a-1
0.265
MAR-TRE-799db12b-34
0.264
DAN-MCD-50ec7d1f-1
0.263
LON-WEI-8f408cad-4
0.263
BEN-DND-76ad4ac9-6
0.263
AAR-POS-d2a4d1df-23
0.263
BEN-DND-03406596-10
0.263
MAR-TRE-6a44bbf2-18
0.263
BEN-DND-03ad4429-3
0.263
MAK-UNK-10dfa458-5
0.263
DAN-MCD-5c762fbe-1
0.263
AHN-SAT-de2502ba-17
0.263
AHN-SAT-de2502ba-18
0.263
MAR-TRE-6a44bbf2-22
0.262
MAK-UNK-7c9d1431-26
0.262
BEN-DND-02317c5c-8
0.262
PET-UNK-e44ffd04-1
0.262
NAU-LAT-a5c7d7cb-12
0.262
MAK-UNK-10dfa458-29
0.260
MAR-TRE-3e4e6814-80
0.258
DRR-IMP-dff87f5e-8
0.258
IND-SYN-6c8299e8-2
0.257
TAT-ENA-80bfd3e5-25
0.257
MAK-UNK-7c9d1431-4
0.257
MAK-UNK-009ebe36-2
0.257
KEN-MCD-4729dc98-1
0.254
MAR-TRE-66ac689e-22
0.252
MAR-TRE-66ac689e-27
0.252
MAR-TRE-66ac689e-47
0.252
MAR-TRE-4f781e27-67
0.250
CLI-UNI-032f7715-4
0.250
BEN-DND-03ad4429-2
0.250
AHN-SAT-de2502ba-11
0.250
MAK-UNK-902cc841-7
0.250
BAR-COM-4e090d3a-9
0.248
SAD-SAT-2ceae68f-1
0.248
BEN-DND-02317c5c-4
0.246
MAK-UNK-902cc841-8
0.246
BEN-DND-03ad4429-4
0.245
MAR-TRE-6a44bbf2-100
0.245
AHN-SAT-de2502ba-4
0.245
MAR-TRE-799db12b-49
0.243
MAR-TRE-799db12b-45
0.243
TAT-ENA-80bfd3e5-27
0.243
MAR-TRE-a9136c7b-68
0.243
SAD-SAT-89668ff1-2
0.243
MAC-MCD-4707377b-1
0.243
IND-SYN-6c8299e8-9
0.243
BEN-DND-03ad4429-1
0.242
UNK-CYC-68f84b31-26
0.241
UNK-CYC-68f84b31-65
0.241
ALP-POS-8ed8d9ec-16
0.241
UNK-CYC-68f84b31-34
0.241
MAR-TRE-fd17a9b8-47
0.240
KAY-MCD-59dc2eb3-1
0.240
ALP-POS-a3de0cb1-4
0.240
JAY-UNK-11f5bdbd-1
0.240
GAB-REV-70cc3ca5-2
0.239
MAR-TRE-8190bb11-100
0.239
SAD-SAT-135344c3-2
0.239
MAR-TRE-66ac689e-66
0.238
MAT-POS-e10a589d-2
0.237
TAT-ENA-80bfd3e5-1
0.237
SAD-SAT-2ceae68f-6
0.235
GIA-UNK-595fac82-4
0.235
MAR-TRE-799db12b-36
0.234
MAR-TRE-fd17a9b8-22
0.234
JOE-NOR-ee0d220f-1
0.234
SAD-SAT-135344c3-3
0.234