Molecular Properties | |
SMILES: | N#Cc1cnc(CC(=O)Nc2cccnc2)o1 |
MW: | 228.211 |
Fraction sp3: | 0.09 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 91.81 |
cLogP: | 1.12248 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
DAR-DIA-842b4336-16
0.639
DAR-DIA-842b4336-14
0.522
MAR-TRE-67513f76-81
0.500
DAR-DIA-23aa0b97-17
0.486
ANN-UNI-26382800-5
0.486
SAN-PRS-52b81272-2
0.476
SAD-SAT-24589cd1-4
0.469
DAR-DIA-842b4336-9
0.464
MAK-UNK-a7b37c5e-1
0.463
MAK-UNK-a7b37c5e-4
0.462
JOH-IMS-62aeb97d-5
0.458
MAK-UNK-ca11b4f7-1
0.458
DAR-DIA-842b4336-12
0.456
DAR-DIA-842b4336-13
0.456
MAK-UNK-a7b37c5e-5
0.455
DAR-DIA-842b4336-10
0.448
MAK-UNK-c749d764-17
0.441
DAR-DIA-23aa0b97-16
0.441
EDG-MED-0da5ad92-2
0.435
ALE-HEI-f28a35b5-5
0.435
DAR-DIA-842b4336-11
0.435
MAK-UNK-a7b37c5e-2
0.429
KAL-WAB-eb347ebe-1
0.425
MAK-UNK-c749d764-27
0.423
ALE-HEI-f28a35b5-14
0.415
CHA-MCP-85291e1d-5
0.413
JOH-UNK-14e6adc5-2
0.412
AUS-ARG-7cfdce8f-11
0.412
ANN-UNI-26382800-3
0.412
MAR-TRE-74c6519b-55
0.408
MAR-TRE-2fd8122f-46
0.405
MAR-TRE-2fd8122f-37
0.403
CHA-MCP-85291e1d-2
0.400
CHA-MCP-85291e1d-1
0.397
SAD-SAT-f25ee457-3
0.396
MAK-UNK-c749d764-14
0.395
MAK-UNK-c749d764-13
0.395
MAR-TRE-04c86cea-41
0.393
MAR-TRE-2fd8122f-57
0.392
MAR-TRE-2fd8122f-78
0.392
MAR-TRE-f6f5f473-95
0.390
MAR-TRE-67513f76-13
0.390
MAR-TRE-2fd8122f-99
0.390
MAR-TRE-2fd8122f-23
0.388
MAR-TRE-2fd8122f-68
0.388
WIL-UNI-5578df48-15
0.387
SAD-SAT-cefd50cc-6
0.386
MAR-TRE-9c797165-94
0.385
MAK-UNK-c749d764-23
0.385
CHR-SOS-f7373dd1-5
0.384
AAR-POS-d2a4d1df-13
0.380
FRA-FAC-9ed5a63a-1
0.380
ALE-HEI-f28a35b5-9
0.380
CHR-SOS-f7373dd1-6
0.380
DAR-DIA-842b4336-6
0.378
CHR-SOS-59746812-3
0.378
MAR-TRE-9c797165-14
0.378
MAR-TRE-2fd8122f-94
0.376
CHR-SOS-363cfb78-1
0.375
MED-UNK-e6e8ef8a-5
0.375
MED-UNK-e6e8ef8a-6
0.375
DAR-DIA-842b4336-5
0.375
CHR-SOS-59746812-4
0.373
DAR-DIA-842b4336-20
0.373
DAR-DIA-23aa0b97-6
0.373
DAR-DIA-23aa0b97-4
0.373
MAK-UNK-ca11b4f7-2
0.371
MAK-UNK-ca11b4f7-3
0.371
DAR-DIA-23aa0b97-5
0.370
ANN-UNI-26382800-4
0.370
WAR-XCH-eb7b662f-1
0.370
FRA-FAC-9ed5a63a-2
0.370
MED-UNK-e6e8ef8a-2
0.370
MED-UNK-e6e8ef8a-3
0.370
JOR-UNI-61e7b1d5-2
0.370
AAR-POS-d2a4d1df-11
0.369
MAR-TRE-67513f76-22
0.369
CHR-SOS-f7373dd1-4
0.368
CHR-SOS-59746812-2
0.368
MAR-TRE-7f7bb9f0-49
0.365
MAR-TRE-7f7bb9f0-74
0.365
MAR-TRE-4b834d9a-59
0.365
MAR-TRE-2fd8122f-69
0.364
MAR-TRE-b77b7921-39
0.364
CHR-SOS-59746812-6
0.364
MAR-TRE-3e4e6814-79
0.360
MAR-TRE-67513f76-93
0.360
MAR-TRE-7f7bb9f0-56
0.360
MED-UNK-e6e8ef8a-4
0.360
MAR-TRE-2fd8122f-26
0.360
MAR-TRE-67513f76-87
0.359
CHR-SOS-59746812-1
0.359
MAK-UNK-30aad1f1-12
0.358
KEI-TRE-d5e2018a-14
0.358
MAR-TRE-2fd8122f-39
0.357
MAK-UNK-d1e89583-1
0.357
CHR-SOS-70e4c98a-6
0.355
MAR-TRE-d0525fbf-91
0.355
CHR-SOS-f7373dd1-2
0.355
ANT-DIA-3c79be55-4
0.355