Molecular Properties | |
SMILES: | N[C@H]1CCC[C@H](C(=O)NCC(=O)Nc2cccnc2)C1 |
MW: | 276.16 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 97.11 |
cLogP: | 0.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
MAR-TRE-74c6519b-91
0.810
MAR-TRE-b77b7921-71
0.573
MAR-TRE-3e4e6814-62
0.554
MAR-TRE-7f7bb9f0-97
0.519
MAR-TRE-7f7bb9f0-49
0.500
MAR-TRE-04c86cea-95
0.494
MAR-TRE-9c797165-38
0.494
MAR-TRE-74c6519b-17
0.494
MAR-TRE-3e4e6814-49
0.475
MAR-TRE-3e4e6814-67
0.474
MAR-TRE-b77b7921-74
0.468
MAR-TRE-7f7bb9f0-68
0.457
MAR-TRE-04c86cea-81
0.456
MAR-TRE-67513f76-93
0.453
MED-UNK-40f14d64-1
0.448
MAR-TRE-7f7bb9f0-12
0.442
MAR-TRE-b77b7921-80
0.439
MED-UNK-cd1acb4a-1
0.439
ALE-HEI-f28a35b5-9
0.438
AAR-POS-d2a4d1df-13
0.438
FRA-FAC-9ed5a63a-1
0.438
MAR-TRE-04c86cea-40
0.429
MAR-TRE-74c6519b-81
0.429
MED-UNK-91aaf3ac-1
0.427
WIL-UNI-5578df48-17
0.427
FRA-FAC-9ed5a63a-2
0.427
MED-UNK-e6e8ef8a-2
0.427
MED-UNK-e6e8ef8a-3
0.427
MAR-TRE-b77b7921-77
0.425
MAR-TRE-67513f76-81
0.422
MAR-TRE-67513f76-92
0.417
MED-UNK-e6e8ef8a-5
0.413
MED-UNK-e6e8ef8a-6
0.413
MAK-UNK-ca11b4f7-1
0.409
JOH-IMS-62aeb97d-5
0.409
MAR-TRE-2fd8122f-60
0.407
MAR-TRE-f6f5f473-81
0.405
MAR-TRE-7f7bb9f0-8
0.402
MED-UNK-e6e8ef8a-4
0.397
MAR-TRE-2fd8122f-27
0.397
ALE-HEI-f28a35b5-14
0.394
MAR-TRE-2fd8122f-30
0.393
NAU-LAT-64f4b287-10
0.390
MAR-TRE-9c797165-47
0.389
MAR-TRE-9c797165-48
0.388
MAR-TRE-3e4e6814-59
0.388
CHR-SOS-f7373dd1-4
0.388
CHR-SOS-f7373dd1-5
0.385
MAR-TRE-74c6519b-68
0.384
WIL-UNI-1faa9b10-8
0.384
MAK-UNK-a7b37c5e-1
0.382
CHR-SOS-f7373dd1-1
0.378
MAK-UNK-c749d764-13
0.378
CHR-SOS-f7373dd1-2
0.375
CHR-SOS-54d5cf3e-2
0.374
MAK-UNK-a7b37c5e-2
0.372
DAR-DIA-842b4336-16
0.372
SAD-SAT-cefd50cc-6
0.371
SAN-PRS-52b81272-2
0.370
MAR-TRE-74c6519b-54
0.369
MAR-TRE-b77b7921-91
0.369
ALE-HEI-f28a35b5-8
0.368
MAK-UNK-b2c98f02-7
0.368
MAR-TRE-b77b7921-53
0.368
KEI-TRE-d5e2018a-77
0.368
MAK-UNK-b2c98f02-8
0.367
MAK-UNK-c749d764-27
0.367
CHR-SOS-70e4c98a-8
0.366
CHR-SOS-54d5cf3e-4
0.366
MAR-TRE-04c86cea-51
0.366
SAD-SAT-24589cd1-4
0.365
CHR-SOS-f7373dd1-6
0.365
MAR-TRE-9c797165-80
0.362
MAK-UNK-b2c98f02-9
0.362
MAK-UNK-a7b37c5e-4
0.360
DAR-DIA-842b4336-12
0.359
ALE-HEI-f28a35b5-5
0.359
DAR-DIA-842b4336-11
0.359
CHR-SOS-54d5cf3e-1
0.359
MAR-TRE-2fd8122f-78
0.358
CHR-SOS-70e4c98a-6
0.358
CHR-SOS-70e4c98a-3
0.357
MED-UNK-8b115213-1
0.357
MAR-TRE-2fd8122f-13
0.356
CHR-SOS-f7373dd1-3
0.356
MAR-TRE-7f7bb9f0-82
0.356
MAK-UNK-a7b37c5e-5
0.355
AUS-ARG-7cfdce8f-11
0.355
CHR-SOS-59746812-2
0.354
LON-WEI-120e5cf5-11
0.354
TAM-UNI-c140e31a-14
0.351
DAR-DIA-842b4336-10
0.351
CHR-SOS-59746812-6
0.349
CHA-MCP-85291e1d-1
0.349
CHR-SOS-70e4c98a-1
0.349
CHR-SOS-59746812-3
0.348
MAR-TRE-4b834d9a-96
0.348
BEN-DND-362d364a-11
0.348
MAR-TRE-04c86cea-31
0.348
DAR-DIA-23aa0b97-16
0.346