Molecular Properties | |
SMILES: | Cc1nc2c(c(=O)n1C)CCN(S(=O)(=O)c1cccnc1)CC2 |
MW: | 334.11 |
Fraction sp3: | 0.4 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 85.16 |
cLogP: | 0.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5496514288 |
MolPort: | MolPort-016-613-512 |
Filter82_pyridinium
Hetero_hetero
MAR-TRE-c8530538-47
0.435
PEI-IMP-ca0b2813-1
0.382
MAR-TRE-f5c2d31c-79
0.375
MAR-TRE-c8530538-57
0.374
MAR-TRE-c8530538-88
0.356
MAR-TRE-d0525fbf-90
0.349
MAR-TRE-2fd8122f-13
0.300
AUS-ARG-7cfdce8f-17
0.297
KEI-TRE-d5e2018a-22
0.290
ANT-OPE-a517596a-1
0.289
AUS-ARG-7cfdce8f-2
0.286
MAR-TRE-67513f76-51
0.284
MAR-TRE-c8530538-100
0.278
MAT-POS-b5746674-31
0.277
KEI-TRE-d5e2018a-32
0.275
MAR-TRE-3e4e6814-34
0.275
MAK-UNK-009ebe36-2
0.274
ALE-MCD-4ac17b19-1
0.269
MAR-TRE-fd17a9b8-62
0.266
KEI-TRE-d5e2018a-13
0.265
MAK-UNK-0955449e-34
0.263
MAK-UNK-0955449e-32
0.262
MAK-UNK-009ebe36-3
0.260
MAR-TRE-2fd8122f-15
0.260
BEN-DND-03ad4429-1
0.260
SIM-SYN-3099a863-3
0.258
MAR-TRE-3e4e6814-92
0.255
SAD-SAT-135344c3-2
0.253
KEI-TRE-d5e2018a-9
0.253
MAR-TRE-c8530538-64
0.253
MAR-TRE-2fd8122f-55
0.252
MAK-UNK-009ebe36-7
0.248
MAR-TRE-c8530538-36
0.248
KEI-TRE-d5e2018a-10
0.247
MAR-TRE-2fd8122f-22
0.247
KEI-TRE-d5e2018a-52
0.247
JAR-KUA-41bd5a3d-4
0.247
KEI-TRE-d5e2018a-53
0.245
SAD-SAT-135344c3-5
0.245
MAR-TRE-f6f5f473-23
0.245
MAK-UNK-9a6be56d-27
0.244
MAT-POS-b5746674-29
0.243
MAR-TRE-4b834d9a-63
0.242
KEI-TRE-d5e2018a-61
0.242
PEI-IMP-ca0b2813-4
0.242
MAK-UNK-9a6be56d-31
0.242
AGN-NEW-891393a6-5
0.242
MAK-UNK-9a6be56d-6
0.242
MAK-UNK-de9577cf-5
0.241
MAK-UNK-de9577cf-7
0.241
MAR-TRE-74c6519b-66
0.241
MAK-UNK-9a6be56d-26
0.240
MAK-UNK-9a6be56d-28
0.240
MAR-TRE-04c86cea-46
0.240
MAR-TRE-c8530538-1
0.238
MAK-UNK-8fdbca50-31
0.238
MAK-UNK-9a6be56d-24
0.238
MAK-UNK-9a6be56d-3
0.238
MAR-TRE-d0525fbf-33
0.238
KEI-TRE-d5e2018a-73
0.238
MAK-UNK-148caf23-3
0.237
MAK-UNK-de9577cf-9
0.237
MAK-UNK-de9577cf-4
0.237
MAK-UNK-de9577cf-15
0.237
MAR-TRE-d0525fbf-45
0.236
MAR-TRE-be9ff7d2-13
0.236
MAR-TRE-fd17a9b8-92
0.236
MAK-UNK-de9577cf-11
0.235
SAD-SAT-135344c3-4
0.235
MAK-UNK-de9577cf-2
0.234
MAK-UNK-9a6be56d-22
0.234
MAK-UNK-9a6be56d-32
0.234
KEN-MCD-4729dc98-1
0.234
MAT-POS-b5746674-21
0.233
MAK-UNK-9a6be56d-25
0.233
MAR-TRE-2fd8122f-19
0.232
MAR-TRE-2fd8122f-29
0.232
MAK-UNK-9a6be56d-2
0.232
MAK-UNK-8fdbca50-27
0.232
MAK-UNK-8fdbca50-28
0.232
MAK-UNK-9a6be56d-29
0.232
MAR-TRE-7f7bb9f0-33
0.232
MAK-UNK-9a6be56d-4
0.231
MAK-UNK-de9577cf-10
0.231
MAK-UNK-0955449e-33
0.231
MAK-UNK-de9577cf-6
0.231
MAK-UNK-8fdbca50-15
0.231
MAK-UNK-9a6be56d-21
0.230
MAR-TRE-2fd8122f-94
0.230
NIM-UNI-05f93fcc-6
0.229
MAK-UNK-de9577cf-8
0.229
SIM-SYN-a98e6a07-1
0.229
MAK-UNK-8fdbca50-32
0.228
MAK-UNK-8fdbca50-33
0.228
MAK-UNK-8fdbca50-16
0.227
MAR-TRE-2fd8122f-35
0.226
MAK-UNK-8fdbca50-30
0.226
NAU-LAT-445f63e5-7
0.226
MAK-UNK-009ebe36-5
0.225
MAK-UNK-7264f48c-3
0.225