Molecular Properties | |
SMILES: | C[C@@H](CC(=O)NCC(=O)Nc1cccnc1)[C@H]1CCCNC1 |
MW: | 304.19 |
Fraction sp3: | 0.56 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 83.12 |
cLogP: | 1.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
MAR-TRE-3e4e6814-67
0.571
MAR-TRE-b77b7921-74
0.525
MAR-TRE-9c797165-47
0.500
MAR-TRE-3e4e6814-49
0.476
MAR-TRE-3e4e6814-62
0.476
MAR-TRE-7f7bb9f0-49
0.462
MAR-TRE-67513f76-93
0.456
MAR-TRE-7f7bb9f0-68
0.442
MAR-TRE-3e4e6814-59
0.442
MAR-TRE-74c6519b-17
0.442
MAR-TRE-04c86cea-81
0.440
MAR-TRE-74c6519b-91
0.429
MAR-TRE-04c86cea-95
0.429
MAR-TRE-7f7bb9f0-12
0.429
MAR-TRE-2fd8122f-60
0.429
MAR-TRE-9c797165-38
0.427
CHR-SOS-54d5cf3e-3
0.426
WAR-XCH-e55cba98-10
0.426
MAR-TRE-b77b7921-97
0.425
MAR-TRE-7f7bb9f0-8
0.422
MAR-TRE-67513f76-92
0.420
MAR-TRE-7f7bb9f0-97
0.414
MAR-TRE-b77b7921-71
0.409
MED-UNK-e6e8ef8a-1
0.400
JOH-IMS-62aeb97d-5
0.394
CHR-SOS-54d5cf3e-1
0.394
SAD-SAT-24589cd1-4
0.390
WIL-UNI-1faa9b10-8
0.389
MAR-TRE-74c6519b-68
0.389
ALE-HEI-f28a35b5-9
0.388
FRA-FAC-9ed5a63a-1
0.388
AAR-POS-d2a4d1df-13
0.388
MAR-TRE-67513f76-81
0.386
MED-UNK-e6e8ef8a-4
0.386
MAR-TRE-04c86cea-51
0.385
MED-UNK-e6e8ef8a-5
0.383
MED-UNK-e6e8ef8a-3
0.378
MAR-TRE-7f7bb9f0-30
0.378
MAR-TRE-67513f76-73
0.376
MAR-TRE-7f7bb9f0-82
0.376
MAK-UNK-ca11b4f7-1
0.375
CHR-SOS-f7373dd1-6
0.371
MED-UNK-e6e8ef8a-6
0.366
MED-UNK-e6e8ef8a-7
0.366
ALE-HEI-f28a35b5-5
0.366
ALE-HEI-f28a35b5-14
0.364
CHR-SOS-f7373dd1-3
0.363
MAR-TRE-d0525fbf-64
0.363
AUS-ARG-7cfdce8f-11
0.362
SAD-SAT-cefd50cc-6
0.362
MED-UNK-e6e8ef8a-2
0.361
FRA-FAC-9ed5a63a-2
0.361
MAR-TRE-7f7bb9f0-46
0.360
CHR-SOS-f7373dd1-4
0.360
MAR-TRE-74c6519b-42
0.359
MAR-TRE-f6f5f473-36
0.358
MAR-TRE-9c797165-57
0.355
MAR-TRE-2fd8122f-30
0.354
MAR-TRE-04c86cea-76
0.354
MAR-TRE-9c797165-52
0.352
CHR-SOS-f7373dd1-1
0.352
ASH-UNK-40b46b30-13
0.352
CHR-SOS-54d5cf3e-2
0.351
MAR-TRE-f6f5f473-58
0.350
MAR-TRE-2fd8122f-27
0.350
MAR-TRE-04c86cea-53
0.350
DAR-DIA-842b4336-11
0.349
DAR-DIA-842b4336-12
0.349
NAU-LAT-64f4b287-10
0.348
MAR-TRE-b77b7921-80
0.348
MAR-TRE-9c797165-24
0.347
MAR-TRE-7f7bb9f0-15
0.347
JOH-IMS-62aeb97d-4
0.346
MAK-UNK-a7b37c5e-5
0.346
DAR-DIA-842b4336-16
0.345
MAR-TRE-4b834d9a-31
0.344
MAR-TRE-74c6519b-54
0.344
MAR-TRE-b77b7921-91
0.344
KEI-TRE-d5e2018a-77
0.344
MAR-TRE-b77b7921-53
0.344
SAD-SAT-cefd50cc-7
0.343
SAN-PRS-52b81272-2
0.342
ALE-HEI-f28a35b5-8
0.341
MAK-UNK-c749d764-27
0.341
CHR-SOS-f7373dd1-5
0.341
CHR-SOS-70e4c98a-8
0.341
KEI-TRE-d5e2018a-68
0.340
MAR-TRE-74c6519b-81
0.340
MAK-UNK-c749d764-17
0.337
MAK-UNK-a7b37c5e-1
0.337
MAK-UNK-c749d764-13
0.337
TAM-UNI-c140e31a-10
0.337
MAR-TRE-2fd8122f-2
0.337
WIL-UNI-5578df48-17
0.337
KEI-TRE-d5e2018a-45
0.337
ZAC-WAB-d55a3c2e-2
0.337
ZAC-WAB-3baddbb3-1
0.337
THO-SYG-f9b2970d-2
0.337
MAR-TRE-3e4e6814-6
0.337
DAR-DIA-842b4336-13
0.333