Molecular Properties | |
SMILES: | O=C(CNC(=O)[C@H]1CC12CCNCC2)Nc1cccnc1 |
MW: | 288.16 |
Fraction sp3: | 0.53 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 83.12 |
cLogP: | 0.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
MAR-TRE-7f7bb9f0-8
0.544
MAR-TRE-3e4e6814-62
0.533
MAR-TRE-74c6519b-91
0.520
MAR-TRE-7f7bb9f0-97
0.519
MAR-TRE-9c797165-38
0.512
MAR-TRE-b77b7921-74
0.506
MAR-TRE-b77b7921-71
0.494
MAR-TRE-b77b7921-97
0.494
MAR-TRE-3e4e6814-67
0.494
MAR-TRE-7f7bb9f0-12
0.476
MAR-TRE-04c86cea-95
0.476
MAR-TRE-04c86cea-81
0.474
MAR-TRE-7f7bb9f0-49
0.459
MAR-TRE-b77b7921-77
0.442
MAR-TRE-7f7bb9f0-46
0.442
MAR-TRE-7f7bb9f0-68
0.439
MAR-TRE-3e4e6814-49
0.439
MAR-TRE-67513f76-93
0.434
MAR-TRE-2fd8122f-60
0.425
MAR-TRE-67513f76-81
0.422
MAR-TRE-7f7bb9f0-38
0.420
MAR-TRE-9c797165-47
0.419
MAR-TRE-67513f76-92
0.417
MAR-TRE-2fd8122f-27
0.417
MED-UNK-e6e8ef8a-6
0.413
JOH-IMS-62aeb97d-5
0.409
MAK-UNK-ca11b4f7-1
0.409
MAR-TRE-3e4e6814-59
0.405
MAR-TRE-74c6519b-68
0.400
ALE-HEI-f28a35b5-5
0.395
ALE-HEI-f28a35b5-14
0.394
JOH-IMS-62aeb97d-4
0.392
DAR-DIA-842b4336-16
0.390
CHR-SOS-54d5cf3e-1
0.389
MAR-TRE-9c797165-48
0.388
DAR-DIA-23aa0b97-17
0.388
CHR-SOS-f7373dd1-5
0.385
WIL-UNI-1faa9b10-8
0.384
SAD-SAT-24589cd1-4
0.384
FRA-FAC-9ed5a63a-1
0.382
ALE-HEI-f28a35b5-9
0.382
AAR-POS-d2a4d1df-13
0.382
MED-UNK-e6e8ef8a-4
0.380
CHR-SOS-59746812-3
0.379
DAR-DIA-842b4336-12
0.377
MED-UNK-e6e8ef8a-5
0.377
CHR-SOS-59746812-4
0.375
CHR-SOS-70e4c98a-6
0.375
CHR-SOS-f7373dd1-2
0.375
CHR-SOS-54d5cf3e-2
0.374
JAG-UCB-a3ef7265-7
0.373
AUS-ARG-7cfdce8f-11
0.373
MAK-UNK-a7b37c5e-5
0.373
MAR-TRE-b77b7921-80
0.372
FRA-FAC-9ed5a63a-2
0.372
MED-UNK-e6e8ef8a-2
0.372
MED-UNK-e6e8ef8a-3
0.372
KAL-WAB-eb347ebe-1
0.370
CHR-SOS-f7373dd1-4
0.370
CHR-SOS-59746812-2
0.370
SAN-PRS-52b81272-2
0.370
MAR-TRE-b77b7921-91
0.369
MAK-UNK-c749d764-27
0.367
MAR-TRE-f6f5f473-36
0.367
CHR-SOS-70e4c98a-8
0.366
CHR-SOS-59746812-6
0.366
MAR-TRE-04c86cea-51
0.366
CHR-SOS-54d5cf3e-4
0.366
CHA-MCP-85291e1d-1
0.365
CHR-SOS-f7373dd1-6
0.365
MAR-TRE-7f7bb9f0-81
0.364
DAR-DIA-23aa0b97-16
0.364
MAR-TRE-2fd8122f-17
0.363
MAR-TRE-2fd8122f-81
0.362
CHR-SOS-54d5cf3e-3
0.362
WAR-XCH-e55cba98-10
0.362
CHR-SOS-f7373dd1-1
0.361
MAR-TRE-67513f76-87
0.361
CHR-SOS-59746812-1
0.361
MAK-UNK-a7b37c5e-4
0.360
MAR-TRE-2fd8122f-38
0.360
MAR-TRE-3e4e6814-47
0.360
DAR-DIA-842b4336-11
0.359
DAR-DIA-842b4336-13
0.359
CHR-SOS-59746812-5
0.357
CHR-SOS-70e4c98a-3
0.357
CHR-SOS-f7373dd1-3
0.356
MAR-TRE-f6f5f473-52
0.356
CHR-SOS-b301fc01-2
0.356
CHR-SOS-54d5cf3e-8
0.355
MAR-TRE-2fd8122f-83
0.355
MAR-TRE-7f7bb9f0-15
0.355
MAK-UNK-a7b37c5e-2
0.354
MAR-TRE-74c6519b-54
0.353
DAR-DIA-842b4336-10
0.351
CHR-SOS-70e4c98a-1
0.349
MAR-TRE-9c797165-14
0.348
MAR-TRE-4b834d9a-96
0.348
MAR-TRE-74c6519b-81
0.348
JOH-IMS-62aeb97d-3
0.346