Molecular Properties | |
SMILES: | NC(CC(=O)Nc1cccnc1)c1cnn(-c2ccccc2)c1 |
MW: | 307.14 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 85.83 |
cLogP: | 2.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AUS-ARG-7cfdce8f-11
0.493
SAN-PRS-52b81272-2
0.431
MAR-TRE-74c6519b-47
0.425
MAR-TRE-9c797165-52
0.415
MAR-TRE-d0525fbf-91
0.412
TAM-UNI-c140e31a-10
0.412
MAR-TRE-67513f76-81
0.403
MAR-TRE-9c797165-8
0.400
DAR-DIA-842b4336-11
0.397
MAK-UNK-ca11b4f7-1
0.391
JOH-IMS-62aeb97d-5
0.391
MAR-TRE-67513f76-92
0.386
MAK-UNK-a7b37c5e-1
0.385
MAR-TRE-9c797165-57
0.382
MAR-TRE-2fd8122f-78
0.378
CHR-SOS-70e4c98a-6
0.378
MAR-TRE-3e4e6814-6
0.378
MAK-UNK-a7b37c5e-5
0.377
KEI-TRE-d5e2018a-74
0.375
MAK-UNK-a7b37c5e-2
0.375
CHR-SOS-f7373dd1-4
0.373
MAR-TRE-9c797165-94
0.372
MAR-TRE-7f7bb9f0-49
0.370
CHR-SOS-70e4c98a-8
0.369
SAD-SAT-24589cd1-4
0.368
MAR-TRE-04c86cea-19
0.368
DAR-DIA-23aa0b97-16
0.367
MAR-TRE-67513f76-93
0.366
CHR-SOS-f7373dd1-1
0.365
MAK-UNK-a7b37c5e-4
0.364
CHR-SOS-70e4c98a-3
0.360
MAR-TRE-2fd8122f-99
0.360
MAR-TRE-67513f76-13
0.360
ALE-HEI-f28a35b5-14
0.360
MAR-TRE-04c86cea-71
0.359
MAR-TRE-6a44bbf2-44
0.358
MAR-TRE-6a44bbf2-70
0.358
MAR-TRE-67513f76-73
0.357
DAR-DIA-23aa0b97-17
0.357
MAR-TRE-2fd8122f-37
0.356
AAR-POS-d2a4d1df-11
0.356
MAR-TRE-4b834d9a-74
0.356
DAR-DIA-842b4336-10
0.354
MAR-TRE-04c86cea-97
0.353
MAR-TRE-74c6519b-63
0.352
CHR-SOS-70e4c98a-1
0.352
KEI-TRE-d5e2018a-68
0.352
ALE-HEI-f28a35b5-9
0.350
FRA-FAC-9ed5a63a-1
0.350
AAR-POS-d2a4d1df-13
0.350
MAK-UNK-c749d764-17
0.350
CHR-SOS-59746812-1
0.349
MAR-TRE-74c6519b-58
0.348
DAR-DIA-842b4336-12
0.346
DAR-DIA-842b4336-13
0.346
EDG-MED-0da5ad92-2
0.346
ALE-HEI-f28a35b5-5
0.346
CHR-SOS-59746812-5
0.345
MAR-TRE-d0525fbf-64
0.344
MAR-TRE-2fd8122f-68
0.344
MAR-TRE-9c797165-48
0.344
WIL-UNI-5578df48-2
0.342
DAR-DIA-842b4336-16
0.341
MED-UNK-e6e8ef8a-2
0.341
FRA-FAC-9ed5a63a-2
0.341
KAL-WAB-eb347ebe-1
0.341
MAK-UNK-c749d764-23
0.341
MAR-TRE-4b834d9a-31
0.341
MAR-TRE-2fd8122f-45
0.341
SAN-PRS-52b81272-3
0.338
CHR-SOS-f7373dd1-5
0.337
MAR-TRE-7f7bb9f0-74
0.337
MAK-UNK-c749d764-27
0.337
SAD-SAT-689b7d5a-4
0.337
MAR-TRE-7f7bb9f0-90
0.337
ADA-UNI-f8e79267-5
0.337
CHA-MCP-85291e1d-2
0.337
CHA-MCP-85291e1d-1
0.337
DUN-NEW-f8ce3686-8
0.337
KEI-TRE-d5e2018a-62
0.337
MAR-TRE-7f7bb9f0-56
0.333
MAR-TRE-f6f5f473-71
0.333
MAR-TRE-3e4e6814-65
0.333
MED-UNK-e6e8ef8a-4
0.333
DAR-DIA-842b4336-14
0.333
MAR-TRE-2fd8122f-39
0.333
MAR-TRE-7f7bb9f0-97
0.333
CHA-MCP-85291e1d-5
0.333
MAT-POS-ea426761-78
0.330
MAR-TRE-9c797165-87
0.330
MAR-TRE-2fd8122f-93
0.330
MAR-TRE-3e4e6814-66
0.330
MAR-TRE-2fd8122f-72
0.330
MAR-TRE-74c6519b-91
0.330
PET-SGC-b0f8bd49-1
0.330
DRE-WAB-ae4a693c-1
0.330
PET-SGC-d0156db4-1
0.330
NAU-LAT-64f4b287-10
0.330
ADA-UNI-f8e79267-4
0.330
BEN-DND-362d364a-12
0.330