Molecular Properties | |
SMILES: | O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1cccnc1 |
MW: | 440.18 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 82.61 |
cLogP: | 4.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
MAR-TRE-04c86cea-5
0.793
MAR-TRE-f6f5f473-4
0.729
MAR-TRE-b77b7921-15
0.578
MAR-TRE-d0525fbf-75
0.400
MAR-TRE-04c86cea-87
0.398
MAR-TRE-74c6519b-58
0.390
ALE-HEI-f28a35b5-14
0.375
MAR-TRE-74c6519b-54
0.370
MAR-TRE-74c6519b-42
0.369
MAR-TRE-04c86cea-93
0.362
MAR-TRE-2fd8122f-20
0.355
MAR-TRE-2fd8122f-62
0.352
MAR-TRE-4b834d9a-97
0.352
MAR-TRE-4b834d9a-82
0.345
MAR-TRE-fd17a9b8-39
0.345
MAR-TRE-2fd8122f-49
0.336
MAR-TRE-3e4e6814-100
0.333
MAR-TRE-2fd8122f-72
0.333
MAR-TRE-9c797165-12
0.333
MAR-TRE-4b834d9a-31
0.330
MAR-TRE-4b834d9a-77
0.327
MAR-TRE-04c86cea-31
0.327
KEI-TRE-d5e2018a-68
0.327
MAR-TRE-04c86cea-97
0.327
MAR-TRE-3e4e6814-47
0.324
MAR-TRE-3e4e6814-61
0.324
MAK-UNK-c749d764-13
0.324
MAK-UNK-ca11b4f7-1
0.322
JOH-IMS-62aeb97d-5
0.322
MAR-TRE-9c797165-60
0.321
MAR-TRE-3e4e6814-28
0.318
MAR-TRE-2fd8122f-54
0.318
MAR-TRE-b77b7921-91
0.317
KEI-TRE-d5e2018a-63
0.317
MAR-TRE-b77b7921-78
0.316
AUS-ARG-7cfdce8f-11
0.316
MAR-TRE-67513f76-81
0.314
MAR-TRE-7f7bb9f0-38
0.312
KEI-TRE-d5e2018a-21
0.312
MAR-TRE-4b834d9a-45
0.312
MAR-TRE-2fd8122f-43
0.312
MAR-TRE-b77b7921-52
0.312
KEI-TRE-d5e2018a-37
0.312
MAR-TRE-2fd8122f-91
0.312
SAN-PRS-52b81272-2
0.312
MAR-TRE-67513f76-87
0.311
MED-UNK-e6e8ef8a-4
0.310
MAR-TRE-9c797165-87
0.310
DAR-DIA-23aa0b97-16
0.309
MAK-UNK-a7b37c5e-1
0.309
MAR-TRE-7f7bb9f0-8
0.309
MAR-TRE-b77b7921-80
0.308
MAR-TRE-2fd8122f-100
0.308
DAR-DIA-842b4336-11
0.306
MED-UNK-e6e8ef8a-6
0.306
MAR-TRE-9c797165-21
0.306
MAR-TRE-9c797165-47
0.305
MAR-TRE-3e4e6814-67
0.305
MAR-TRE-2fd8122f-37
0.305
CHR-SOS-f7373dd1-4
0.304
MAR-TRE-7f7bb9f0-12
0.304
MAK-UNK-a7b37c5e-2
0.303
MED-UNK-e6e8ef8a-2
0.303
FRA-FAC-9ed5a63a-2
0.303
KEI-TRE-d5e2018a-92
0.303
MAR-TRE-3e4e6814-50
0.301
MAR-TRE-b77b7921-81
0.301
MAR-TRE-f6f5f473-46
0.300
MAR-TRE-9c797165-31
0.299
MAR-TRE-d0525fbf-33
0.298
MAR-TRE-2fd8122f-93
0.298
MAR-TRE-7f7bb9f0-15
0.298
KEI-TRE-d5e2018a-74
0.296
MAR-TRE-d0525fbf-64
0.296
MAR-TRE-3e4e6814-59
0.296
AAR-POS-d2a4d1df-13
0.296
ALE-HEI-f28a35b5-9
0.296
FRA-FAC-9ed5a63a-1
0.296
MAR-TRE-74c6519b-91
0.295
SAD-SAT-24589cd1-4
0.295
MAR-TRE-2fd8122f-78
0.294
KEI-TRE-d5e2018a-77
0.294
MAR-TRE-74c6519b-68
0.294
MAR-TRE-b77b7921-53
0.294
MED-UNK-e6e8ef8a-5
0.293
MAR-TRE-3e4e6814-62
0.292
CHA-MCP-85291e1d-4
0.292
MAK-UNK-a7b37c5e-4
0.292
MAR-TRE-67513f76-73
0.291
ANN-UNI-26382800-5
0.291
MAR-TRE-3e4e6814-93
0.291
MAR-TRE-7f7bb9f0-46
0.291
KAL-WAB-eb347ebe-1
0.291
MAR-TRE-9c797165-57
0.291
MAR-TRE-4b834d9a-96
0.291
MAR-TRE-7f7bb9f0-30
0.291
MAR-TRE-4b834d9a-74
0.290
MED-UNK-e6e8ef8a-3
0.290
MAR-TRE-b77b7921-74
0.290
MAR-TRE-9c797165-8
0.290