Molecular Properties | |
SMILES: | O=C(CCNC(=O)C1(n2cccn2)CCNCC1)Nc1cccnc1 |
MW: | 342.18 |
Fraction sp3: | 0.41 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 100.94 |
cLogP: | 0.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7312299024 |
MolPort: | MolPort-045-584-618 |
Long aliphatic chain
MAR-TRE-7f7bb9f0-8
0.743
MAR-TRE-7f7bb9f0-81
0.512
MAR-TRE-3e4e6814-59
0.488
MAR-TRE-67513f76-79
0.464
MAR-TRE-9c797165-57
0.460
MAR-TRE-67513f76-61
0.459
MAR-TRE-7f7bb9f0-15
0.446
MAR-TRE-7f7bb9f0-46
0.439
MAR-TRE-9c797165-48
0.437
MAR-TRE-b77b7921-80
0.437
MAR-TRE-7f7bb9f0-82
0.433
MAR-TRE-74c6519b-17
0.420
MAR-TRE-b77b7921-74
0.414
ALE-HEI-f28a35b5-14
0.413
MAR-TRE-74c6519b-81
0.411
MAK-UNK-ca11b4f7-1
0.408
MAR-TRE-3e4e6814-67
0.402
MAR-TRE-d0525fbf-75
0.390
JOH-IMS-62aeb97d-5
0.389
MAR-TRE-04c86cea-86
0.384
MAR-TRE-f6f5f473-36
0.383
MAR-TRE-67513f76-81
0.380
DAR-DIA-842b4336-11
0.378
MED-UNK-e6e8ef8a-6
0.378
JOH-IMS-62aeb97d-4
0.375
MAR-TRE-7f7bb9f0-30
0.374
MAR-TRE-b77b7921-91
0.371
CHR-SOS-f7373dd1-5
0.369
MAR-TRE-67513f76-87
0.364
CHR-SOS-f7373dd1-2
0.360
MAR-TRE-2fd8122f-78
0.360
CHR-SOS-70e4c98a-6
0.360
MAR-TRE-04c86cea-53
0.360
MAR-TRE-f6f5f473-58
0.360
MAR-TRE-f6f5f473-52
0.359
MAK-UNK-a7b37c5e-5
0.358
CHR-SOS-59746812-2
0.356
CHR-SOS-f7373dd1-4
0.356
MAR-TRE-04c86cea-81
0.356
MAR-TRE-b77b7921-81
0.355
MAR-TRE-67513f76-92
0.355
MAR-TRE-74c6519b-42
0.355
CHR-SOS-70e4c98a-8
0.352
CHR-SOS-59746812-6
0.352
MAR-TRE-4b834d9a-77
0.351
SAD-SAT-24589cd1-4
0.350
CHR-SOS-59746812-1
0.348
CHR-SOS-f7373dd1-1
0.348
CHR-SOS-54d5cf3e-1
0.347
CHR-SOS-54d5cf3e-2
0.347
MAK-UNK-a7b37c5e-4
0.346
MED-UNK-e6e8ef8a-5
0.345
ALE-HEI-f28a35b5-5
0.345
CHR-SOS-70e4c98a-3
0.344
CHR-SOS-59746812-5
0.344
PET-SGC-d0156db4-2
0.344
MAR-TRE-d0525fbf-64
0.344
MAR-TRE-2fd8122f-72
0.344
CHR-SOS-b301fc01-2
0.344
MAR-TRE-3e4e6814-100
0.344
ALE-HEI-f28a35b5-15
0.342
AUS-ARG-7cfdce8f-11
0.341
MAR-TRE-3e4e6814-62
0.341
MAR-TRE-9c797165-94
0.341
CHR-SOS-b301fc01-3
0.340
HAR-NEW-e34cb1ae-7
0.340
MAR-TRE-b77b7921-83
0.339
SAN-PRS-52b81272-2
0.338
DAR-DIA-842b4336-10
0.337
MAR-TRE-3e4e6814-50
0.337
MAR-TRE-04c86cea-97
0.337
CHR-SOS-f7373dd1-6
0.337
CHR-SOS-70e4c98a-1
0.337
MAR-TRE-2fd8122f-32
0.337
MAR-TRE-7f7bb9f0-12
0.337
WAR-XCH-e55cba98-10
0.337
CHR-SOS-54d5cf3e-3
0.337
AAR-POS-d2a4d1df-13
0.333
MAR-TRE-74c6519b-58
0.333
MAR-TRE-2fd8122f-80
0.333
MAK-UNK-a7b37c5e-1
0.333
CHR-SOS-b301fc01-5
0.333
THO-SYG-f9b2970d-2
0.333
ALE-HEI-f28a35b5-9
0.333
FRA-FAC-9ed5a63a-1
0.333
CHR-SOS-e960e883-3
0.333
MAR-TRE-04c86cea-93
0.333
MAR-TRE-7f7bb9f0-56
0.333
MAR-TRE-7f7bb9f0-97
0.333
MAR-TRE-9c797165-38
0.333
MED-UNK-e6e8ef8a-4
0.333
MAR-TRE-9c797165-87
0.330
MAR-TRE-d0525fbf-33
0.330
MAR-TRE-fd17a9b8-39
0.330
MAR-TRE-4b834d9a-82
0.330
MAR-TRE-3e4e6814-49
0.330
CHR-SOS-f7373dd1-3
0.330
MAR-TRE-9c797165-12
0.330
CHR-SOS-70e4c98a-11
0.330
MAR-TRE-67513f76-13
0.330