Molecular Properties | |
SMILES: | Cn1cc([C@H]2CNC[C@H]2C(=O)NCCC(=O)Nc2cccnc2)cn1 |
MW: | 342.18 |
Fraction sp3: | 0.41 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 100.94 |
cLogP: | 0.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAR-TRE-7f7bb9f0-12
0.737
MAR-TRE-67513f76-20
0.685
MAR-TRE-9c797165-57
0.542
MAR-TRE-74c6519b-81
0.506
MAR-TRE-3e4e6814-59
0.482
MAR-TRE-9c797165-35
0.465
MAR-TRE-9c797165-48
0.465
MAR-TRE-7f7bb9f0-38
0.446
MAR-TRE-7f7bb9f0-82
0.444
DAR-DIA-842b4336-11
0.443
MAR-TRE-b77b7921-80
0.432
MAR-TRE-c317dd82-54
0.429
MAR-TRE-67513f76-92
0.427
MAR-TRE-9c797165-11
0.413
ALE-HEI-f28a35b5-14
0.408
MAR-TRE-7f7bb9f0-81
0.407
MAR-TRE-7f7bb9f0-30
0.398
MAR-TRE-3e4e6814-67
0.398
DAR-DIA-842b4336-2
0.392
MAR-TRE-2fd8122f-72
0.385
MAK-UNK-ca11b4f7-1
0.384
JOH-IMS-62aeb97d-5
0.384
MAR-TRE-b77b7921-74
0.378
MAR-TRE-67513f76-81
0.375
MAR-TRE-67513f76-87
0.375
MAR-TRE-d0525fbf-75
0.374
MAR-TRE-2fd8122f-78
0.372
MAR-TRE-2fd8122f-80
0.371
MAR-TRE-3e4e6814-100
0.368
MAR-TRE-2fd8122f-12
0.366
KEI-TRE-d5e2018a-68
0.362
MAK-UNK-c749d764-17
0.361
MAR-TRE-b77b7921-83
0.361
MAR-TRE-74c6519b-58
0.359
MAR-TRE-9c797165-38
0.358
MED-UNK-e6e8ef8a-6
0.357
MAR-TRE-74c6519b-17
0.355
ALE-HEI-f28a35b5-15
0.354
MAR-TRE-7f7bb9f0-8
0.354
MAR-TRE-2fd8122f-93
0.354
MAR-TRE-fd17a9b8-39
0.354
MAR-TRE-4b834d9a-82
0.354
MAR-TRE-04c86cea-40
0.353
MED-UNK-e6e8ef8a-3
0.353
LON-WEI-120e5cf5-11
0.352
MAR-TRE-7f7bb9f0-46
0.352
MAR-TRE-b77b7921-81
0.352
MAR-TRE-2fd8122f-37
0.352
MAR-TRE-3e4e6814-62
0.352
MAR-TRE-4b834d9a-31
0.352
MAR-TRE-b77b7921-91
0.352
MAR-TRE-74c6519b-42
0.351
MAK-UNK-c749d764-27
0.349
MAR-TRE-3e4e6814-50
0.348
MAR-TRE-2fd8122f-62
0.347
MAR-TRE-b77b7921-77
0.347
MAR-TRE-04c86cea-31
0.347
SAD-SAT-24589cd1-4
0.346
MAK-UNK-a7b37c5e-1
0.345
AAR-POS-d2a4d1df-13
0.345
ALE-HEI-f28a35b5-9
0.345
FRA-FAC-9ed5a63a-1
0.345
MED-UNK-e6e8ef8a-4
0.345
MAK-UNK-c749d764-13
0.344
MAR-TRE-9c797165-52
0.344
MAR-TRE-7f7bb9f0-97
0.344
THO-SYG-f9b2970d-2
0.344
MAR-TRE-b77b7921-52
0.344
MAR-TRE-b77b7921-66
0.343
MAR-TRE-2fd8122f-27
0.341
DAR-DIA-842b4336-12
0.341
MED-UNK-e6e8ef8a-5
0.341
CHR-SOS-70e4c98a-6
0.341
MAR-TRE-67513f76-13
0.341
MAR-TRE-74c6519b-91
0.341
MAR-TRE-d0525fbf-64
0.340
MAR-TRE-b77b7921-71
0.340
MAR-TRE-e82e6c98-59
0.340
MAR-TRE-b77b7921-97
0.340
MAR-TRE-f6f5f473-52
0.340
MAR-TRE-7f7bb9f0-53
0.340
MAR-TRE-9c797165-87
0.340
MAR-TRE-d0525fbf-33
0.340
MAR-TRE-9c797165-31
0.340
MAK-UNK-a7b37c5e-5
0.337
JOH-IMS-62aeb97d-4
0.337
FRA-FAC-9ed5a63a-2
0.337
MED-UNK-e6e8ef8a-2
0.337
MAR-TRE-67513f76-73
0.337
CHR-SOS-f7373dd1-4
0.337
MAK-UNK-c749d764-23
0.337
MAR-TRE-74c6519b-54
0.337
MAR-TRE-9c797165-21
0.337
MAR-TRE-3e4e6814-28
0.337
MAR-TRE-c317dd82-59
0.337
MAR-TRE-f6f5f473-36
0.337
DUN-NEW-f8ce3686-9
0.337
MAR-TRE-2fd8122f-20
0.337
MAK-UNK-ca11b4f7-3
0.333
KEI-TRE-d5e2018a-92
0.333