Molecular Properties | |
SMILES: | Cc1ncccc1NC(=O)C[C@]1(C(=O)Nc2cccnc2C)CCNC1 |
MW: | 353.19 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 96.01 |
cLogP: | 2.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-7f7bb9f0-46
0.479
MAR-TRE-9c797165-56
0.423
CAS-DEP-751a2458-6
0.397
EDG-MED-0da5ad92-14
0.395
AGN-NEW-cce853d0-2
0.356
MAR-TRE-67513f76-66
0.354
MAR-TRE-be9ff7d2-6
0.341
MAR-TRE-9c797165-35
0.337
MAR-TRE-9c797165-30
0.306
MAR-TRE-67513f76-45
0.281
SID-ELM-8b394441-2
0.280
SID-ELM-8b394441-4
0.280
AGN-NEW-c7b24fe3-3
0.279
AAR-POS-0daf6b7e-20
0.278
AGN-NEW-817c14da-4
0.275
MAR-TRE-7f7bb9f0-42
0.273
MAR-TRE-3e4e6814-81
0.272
CHR-SOS-59746812-3
0.272
MED-UNK-e6e8ef8a-6
0.272
MAT-POS-590ac91e-9
0.272
MAR-TRE-67513f76-100
0.270
CHR-SOS-f7373dd1-6
0.270
CHR-SOS-59746812-4
0.269
CHR-SOS-70e4c98a-5
0.269
MAR-TRE-f6f5f473-30
0.268
MAR-TRE-67513f76-12
0.268
MAR-TRE-7f7bb9f0-23
0.267
AGN-NEW-c7b24fe3-6
0.264
AGN-NEW-817c14da-5
0.264
MAR-TRE-67513f76-25
0.264
ASH-UNK-40b46b30-11
0.264
CHR-SOS-f7373dd1-3
0.264
MAR-TRE-7f7bb9f0-96
0.263
AGN-NEW-c7b24fe3-2
0.261
MAR-TRE-74c6519b-95
0.260
MAR-TRE-9c797165-49
0.260
MAT-POS-590ac91e-6
0.259
DAR-DIA-842b4336-18
0.258
MAR-TRE-3e4e6814-63
0.258
MAR-TRE-0fda4e82-89
0.258
KEI-TRE-d5e2018a-92
0.258
MED-UNK-e6e8ef8a-8
0.258
CHR-SOS-59746812-2
0.256
MAR-TRE-67513f76-79
0.256
MAR-TRE-9c797165-96
0.253
CHR-SOS-59746812-6
0.253
MAR-TRE-7f7bb9f0-8
0.253
MAR-TRE-7f7bb9f0-48
0.250
MAK-UNK-b2c98f02-1
0.250
MAR-TRE-7f7bb9f0-55
0.250
MAR-TRE-7f7bb9f0-61
0.250
PET-SGC-d0156db4-2
0.250
SIM-DEM-2843056b-7
0.250
MAR-TRE-6c5ef77a-67
0.250
CHR-SOS-59746812-1
0.250
ALP-POS-c0ee8219-12
0.250
MAK-UNK-a7b37c5e-3
0.250
CHR-SOS-f7373dd1-5
0.250
CHR-SOS-e960e883-5
0.250
CHR-SOS-70e4c98a-11
0.250
MAR-TRE-74c6519b-17
0.250
MAR-TRE-d0525fbf-83
0.248
MAR-TRE-f6f5f473-27
0.248
SIM-DEM-2843056b-5
0.248
CHR-SOS-70e4c98a-2
0.247
MAR-TRE-6c5ef77a-14
0.247
CHR-SOS-59746812-5
0.247
CHR-SOS-70e4c98a-3
0.247
MAT-POS-590ac91e-15
0.247
CHR-SOS-e960e883-4
0.245
CHR-SOS-54d5cf3e-1
0.245
MAR-TRE-d0525fbf-98
0.245
MAR-TRE-67513f76-30
0.245
MAR-TRE-2fd8122f-32
0.245
PET-SGC-1fc12be1-1
0.244
CHR-SOS-70e4c98a-6
0.244
CHR-SOS-f7373dd1-2
0.244
MAR-TRE-67513f76-71
0.243
MAR-TRE-7f7bb9f0-75
0.242
SIM-DEM-2843056b-3
0.242
CHR-SOS-54d5cf3e-8
0.242
CHR-SOS-e960e883-6
0.242
AGN-NEW-cce853d0-3
0.242
MAR-TRE-0fda4e82-90
0.242
BAR-COM-0f94fc3d-57
0.242
SIM-DEM-1d7050d3-1
0.242
CHR-SOS-70e4c98a-1
0.242
MAR-TRE-4b834d9a-62
0.242
CHR-SOS-f7373dd1-4
0.241
MAR-TRE-1c920f6f-91
0.241
MAR-TRE-9c797165-55
0.240
SAD-SAT-7d5528d9-4
0.240
MAR-TRE-3e4e6814-53
0.240
MAR-TRE-3159af1a-33
0.239
DAR-DIA-842b4336-21
0.239
MAR-TRE-1c920f6f-74
0.239
DAR-DIA-842b4336-23
0.239
AGN-NEW-c7b24fe3-4
0.239
CHR-SOS-70e4c98a-8
0.239
MAR-TRE-b77b7921-42
0.239