Molecular Properties | |
SMILES: | CC(C)[C@@H](N)C(=O)NCC(=O)Nc1cccnc1-n1cccn1 |
MW: | 316.16 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 114.93 |
cLogP: | 0.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
MAR-TRE-9c797165-39
0.541
MAR-TRE-9c797165-17
0.539
MAR-TRE-3e4e6814-55
0.513
MAR-TRE-3e4e6814-81
0.470
MAR-TRE-67513f76-37
0.447
MAR-TRE-9c797165-34
0.381
MAR-TRE-7f7bb9f0-37
0.372
MAR-TRE-7f7bb9f0-59
0.365
TAT-ENA-80bfd3e5-21
0.364
MAR-TRE-7f7bb9f0-96
0.359
MAR-TRE-74c6519b-95
0.355
MAR-TRE-3e4e6814-53
0.348
MAR-TRE-7f7bb9f0-49
0.341
MAR-TRE-67513f76-93
0.321
MAR-TRE-7f7bb9f0-69
0.305
MAR-TRE-9c797165-59
0.302
MAR-TRE-67513f76-92
0.301
JAG-UCB-a3ef7265-24
0.287
GAB-REV-70cc3ca5-13
0.281
MAK-UNK-a7b37c5e-3
0.280
AAR-UNI-c25c2f1e-36
0.274
MAK-UNK-de8f6d00-1
0.273
GAB-REV-70cc3ca5-5
0.270
BEN-DND-93268d01-4
0.270
BRU-THA-92256091-85
0.269
MAT-POS-590ac91e-11
0.268
SID-ELM-8b394441-1
0.268
MAR-TRE-6a44bbf2-97
0.268
AGN-NEW-cce853d0-1
0.268
AGN-NEW-cce853d0-3
0.268
MAR-TRE-9d18ae8c-48
0.267
MAR-TRE-9c797165-45
0.265
ALE-HEI-f28a35b5-10
0.264
MAR-TRE-be9ff7d2-6
0.264
BAR-COM-5694a99d-4
0.263
JAN-GHE-83b26c96-3
0.263
AAR-UNI-c25c2f1e-104
0.263
WIL-UNI-d4749f31-39
0.262
EDG-MED-0da5ad92-14
0.261
ALP-POS-90c18d1d-1
0.260
MAR-TRE-9c797165-89
0.260
AAR-POS-0daf6b7e-20
0.260
MAK-UNK-51bb34f9-3
0.260
MAR-TRE-3e4e6814-36
0.260
BRU-THA-92256091-8
0.259
BEN-DND-93268d01-14
0.258
MAR-TRE-4f781e27-19
0.258
GAB-REV-70cc3ca5-11
0.258
MAR-TRE-9c797165-57
0.258
GAB-REV-70cc3ca5-2
0.257
AHN-SAT-202241f6-1
0.256
MAR-UCB-195bc32d-13
0.256
TRY-UNI-714a760b-17
0.256
BRU-THA-92256091-87
0.254
MAR-TRE-9c797165-82
0.253
SID-ELM-8b394441-3
0.253
MAR-TRE-67513f76-64
0.253
MAR-TRE-7f7bb9f0-8
0.253
MAR-TRE-3e4e6814-41
0.253
MAK-UNK-129dcd6f-18
0.253
MAR-TRE-3e4e6814-12
0.252
MAR-TRE-9c797165-55
0.252
MAR-TRE-3159af1a-9
0.250
THO-SYG-cc9e9a11-1
0.250
MAR-TRE-9c797165-35
0.250
MAR-TRE-3e4e6814-32
0.250
MAR-TRE-a9136c7b-28
0.250
BAR-COM-0f94fc3d-7
0.250
MAR-TRE-9c797165-49
0.248
MAR-TRE-d0525fbf-83
0.248
BAR-COM-0f94fc3d-27
0.247
MAR-TRE-67513f76-66
0.247
JOH-UNI-abfda500-6
0.247
ANN-UNI-98d2bf15-1
0.247
TRY-UNI-714a760b-5
0.247
ALP-POS-ced8ea4d-28
0.246
MAR-TRE-74c6519b-10
0.245
LON-WEI-4d77710c-21
0.245
AAR-UNI-c25c2f1e-59
0.245
LON-WEI-5e7d1b3e-21
0.245
BEN-DND-09b88bf4-1
0.245
BEN-DND-6de5dfa0-2
0.245
WAR-XCH-e55cba98-11
0.245
PET-SGC-d5b502b1-1
0.245
WIL-WAB-6ef46ddb-1
0.245
MAR-TRE-7f7bb9f0-95
0.245
MAR-TRE-7f7bb9f0-79
0.245
MAR-TRE-9c797165-94
0.245
MAR-TRE-4f781e27-49
0.244
CAS-DEP-751a2458-6
0.244
MAR-TRE-67513f76-71
0.243
DUN-NEW-f8ce3686-6
0.243
MAR-TRE-7f7bb9f0-23
0.243
MAR-TRE-4b834d9a-37
0.243
MAR-TRE-f6f5f473-30
0.243
MAR-TRE-3e4e6814-43
0.243
AGN-NEW-cce853d0-2
0.242
MAR-TRE-0fda4e82-90
0.242
MAK-UNK-129dcd6f-1
0.242
RIT-AID-b8bd8251-1
0.242