Molecular Properties | |
SMILES: | CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(S(=O)(=O)c2cccnc2)C1 |
MW: | 336.417 |
Fraction sp3: | 0.47 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 88.18 |
cLogP: | 1.57224 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z2383198541 |
Enamine REAL: | Z2383198541 |
Mcule: | MCULE-4257610135 |
MolPort: | MolPort-044-633-756 |
Hetero_hetero
ALE-HEI-f28a35b5-9
AUS-ARG-7cfdce8f-2
0.400
PEI-IMP-ca0b2813-1
0.305
MAR-TRE-c8530538-91
0.297
MAR-TRE-f5c2d31c-79
0.295
AUS-ARG-7cfdce8f-1
0.281
MAR-TRE-d0525fbf-90
0.281
MAR-TRE-2fd8122f-13
0.280
ANT-OPE-a517596a-1
0.269
MAR-TRE-2fd8122f-6
0.263
MAR-TRE-2fd8122f-55
0.260
MAT-POS-b5746674-31
0.258
MAR-TRE-2fd8122f-10
0.250
MAK-UNK-0955449e-33
0.250
MAR-TRE-4b834d9a-42
0.250
MAR-TRE-c8530538-63
0.248
MAK-UNK-0955449e-32
0.245
MAK-UNK-0955449e-29
0.245
MAK-UNK-de9577cf-4
0.243
MAK-UNK-de9577cf-2
0.241
MAR-TRE-2fd8122f-19
0.240
MAR-TRE-7f7bb9f0-33
0.240
MAK-UNK-de9577cf-1
0.239
MAK-UNK-de9577cf-3
0.239
MAK-UNK-0955449e-34
0.238
MAK-UNK-de9577cf-5
0.237
MAK-UNK-0955449e-30
0.236
MAT-POS-b5746674-127
0.236
MAK-UNK-9a6be56d-24
0.234
MAK-UNK-de9577cf-9
0.233
MAR-TRE-74c6519b-56
0.233
KEI-TRE-d5e2018a-88
0.233
MAR-TRE-d0525fbf-92
0.231
KEI-TRE-d5e2018a-95
0.231
MAK-UNK-9a6be56d-1
0.230
KEN-MCD-4729dc98-1
0.229
WIL-UNI-5578df48-39
0.229
KEI-TRE-d5e2018a-53
0.229
MAK-UNK-9a6be56d-2
0.228
ANT-DIA-b7f58f21-1
0.228
MAR-TRE-f6f5f473-23
0.228
MAK-UNK-9a6be56d-28
0.227
MAK-UNK-9a6be56d-21
0.227
WIL-UNI-5578df48-5
0.226
KEI-TRE-d5e2018a-65
0.225
MAK-UNK-de9577cf-8
0.225
MAK-UNK-8fdbca50-14
0.225
MAK-UNK-8fdbca50-31
0.225
SIM-SYN-a98e6a07-1
0.224
NIM-UNI-b87c0f72-3
0.224
NIM-UNI-b87c0f72-4
0.224
KEI-TRE-d5e2018a-13
0.223
MAK-UNK-148caf23-3
0.223
MAK-UNK-8fdbca50-16
0.223
MAR-TRE-04c86cea-46
0.222
BEN-BAS-589c65df-1
0.222
KEI-TRE-d5e2018a-92
0.222
MAK-UNK-702fb7d3-17
0.221
MAK-UNK-702fb7d3-20
0.221
MAR-TRE-67513f76-20
0.221
NAU-LAT-445f63e5-7
0.221
MAK-UNK-702fb7d3-5
0.220
MAK-UNK-9a6be56d-32
0.220
MAK-UNK-de9577cf-11
0.220
ZAC-MCD-b48cf8fd-1
0.220
MAR-TRE-fd17a9b8-92
0.220
MAR-TRE-2fd8122f-42
0.220
ZAC-WAB-3baddbb3-1
0.220
ZAC-WAB-d55a3c2e-2
0.220
MAR-TRE-2fd8122f-50
0.220
MAR-TRE-2fd8122f-78
0.220
MAK-UNK-148caf23-2
0.220
MAR-TRE-c8530538-15
0.219
KEI-TRE-d5e2018a-2
0.219
MAK-UNK-9a6be56d-30
0.219
MAK-UNK-9a6be56d-31
0.219
MAK-UNK-8fdbca50-2
0.219
MAK-UNK-de9577cf-12
0.218
MAK-UNK-de9577cf-13
0.218
MAK-UNK-8fdbca50-15
0.218
MAK-UNK-8fdbca50-36
0.218
MAK-UNK-8fdbca50-37
0.218
MAK-UNK-009ebe36-2
0.218
MAK-UNK-009ebe36-3
0.218
KEI-TRE-d5e2018a-54
0.218
MAR-TRE-7f7bb9f0-6
0.218
MAK-UNK-9a6be56d-6
0.218
MAC-MCD-76766525-1
0.217
KEI-TRE-d5e2018a-64
0.217
MAR-TRE-04c86cea-96
0.217
MAK-UNK-de9577cf-6
0.217
MAK-UNK-de9577cf-7
0.217
MAK-UNK-148caf23-23
0.217
MAR-TRE-2fd8122f-29
0.216
SIM-SYN-3099a863-3
0.216
MAR-TRE-04c86cea-35
0.216
MAK-UNK-8fdbca50-3
0.215
MAK-UNK-8fdbca50-26
0.215
KTA-UNK-dac325de-1
0.215
NAU-LAT-3f5f3993-5
0.215
BEN-DND-6de5dfa0-3
0.215