Molecular Properties | |
SMILES: | N#Cc1cnc(O)c(NC(=O)Cc2cccnc2)c1 |
MW: | 254.08 |
Fraction sp3: | 0.08 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 98.9 |
cLogP: | 1.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
BEN-DND-61647d40-8
0.615
BEN-DND-61647d40-17
0.615
ANT-DIA-3c79be55-2
0.522
DAR-DIA-23aa0b97-6
0.522
DAR-DIA-23aa0b97-4
0.500
BEN-DND-61647d40-18
0.465
DAR-DIA-23aa0b97-17
0.413
SAD-SAT-24589cd1-5
0.397
ANN-UNI-26382800-5
0.395
SAD-SAT-24589cd1-8
0.383
TRY-UNI-2eddb1ff-1
0.380
JOR-UNI-61e7b1d5-1
0.378
TRY-UNI-714a760b-20
0.375
SAD-SAT-24589cd1-3
0.373
GAB-REV-70cc3ca5-13
0.372
NAU-LAT-64f4b287-9
0.371
MAK-UNK-6ca90168-23
0.367
ALP-POS-95b75b4d-9
0.362
SAD-SAT-24589cd1-1
0.357
AGN-NEW-c7b24fe3-4
0.354
THO-SYG-cc9e9a11-8
0.352
AGN-NEW-c7b24fe3-3
0.350
RAL-MED-2de63afb-1
0.345
ANT-OPE-6e66bf84-1
0.345
TRY-UNI-1fd04853-1
0.337
PET-SGC-175e168c-1
0.337
THO-SYG-cc9e9a11-4
0.337
TRY-UNI-714a760b-19
0.333
SAD-SAT-24589cd1-4
0.333
MAK-UNK-748f8b7a-9
0.330
SAD-SAT-24589cd1-6
0.330
MAK-UNK-748f8b7a-6
0.330
CHR-SOS-363cfb78-1
0.329
SAD-SAT-24589cd1-10
0.326
RAL-THA-2d450e86-12
0.326
DAR-DIA-842b4336-15
0.325
ANT-OPE-6e66bf84-2
0.322
BEN-DND-61647d40-10
0.321
SAN-PRS-52b81272-2
0.319
MAK-UNK-6ca90168-29
0.319
DAR-DIA-842b4336-14
0.316
ALP-POS-95b75b4d-6
0.316
THO-SYG-cc9e9a11-7
0.316
DAR-DIA-23aa0b97-16
0.316
TRY-UNI-1fd04853-2
0.314
PET-SGC-0f1d26ed-1
0.313
BEN-DND-61647d40-21
0.312
ALP-POS-95b75b4d-2
0.312
MAR-TRE-4f781e27-29
0.312
MAK-UNK-30aad1f1-1
0.312
MAK-UNK-30aad1f1-6
0.312
EDG-MED-0da5ad92-2
0.312
PET-UNK-6314f867-2
0.311
MAT-POS-c20a539d-5
0.311
DAR-DIA-23aa0b97-2
0.311
MAR-TRE-0fda4e82-32
0.311
ALP-POS-95b75b4d-7
0.310
MAR-TRE-9d18ae8c-35
0.310
RAL-THA-2d450e86-5
0.310
SAD-SAT-24589cd1-9
0.309
ABI-SAT-4d06482b-2
0.309
DAR-DIA-23aa0b97-5
0.308
JOR-UNI-61e7b1d5-2
0.308
WAR-XCH-eb7b662f-1
0.308
ANN-UNI-26382800-4
0.308
MAK-UNK-30aad1f1-14
0.307
JOH-UNK-14e6adc5-2
0.307
MAK-UNK-a7b37c5e-3
0.307
ANN-UNI-26382800-3
0.307
BEN-DND-61647d40-9
0.306
THO-SYG-cc9e9a11-3
0.305
MAK-UNK-ca11b4f7-4
0.305
MAR-TRE-2fd8122f-69
0.305
AGN-NEW-c7b24fe3-5
0.305
CHA-MCP-85291e1d-2
0.305
WAR-XCH-6eb0722e-1
0.304
ALP-POS-95b75b4d-8
0.304
SAM-UNK-2684b532-13
0.304
DAR-DIA-842b4336-20
0.303
MAR-TRE-67513f76-81
0.303
TRY-UNI-714a760b-5
0.303
JOR-UNI-61e7b1d5-8
0.302
AGN-NEW-c7b24fe3-1
0.301
CHA-MCP-85291e1d-5
0.301
AGN-NEW-c7b24fe3-6
0.301
DAR-DIA-0cde14eb-14
0.300
EDG-MED-0da5ad92-14
0.300
JIN-POS-6dc588a4-24
0.299
MAR-TRE-4f781e27-34
0.299
MAT-POS-bb423b95-2
0.299
MAK-UNK-c749d764-17
0.299
AGN-NEW-c7b24fe3-2
0.298
DAR-DIA-23aa0b97-3
0.298
MAK-UNK-30aad1f1-7
0.297
DAR-DIA-23aa0b97-18
0.297
MAT-POS-cc05818f-1
0.297
RAL-THA-2d450e86-17
0.297
TRY-UNI-714a760b-6
0.296
WAR-XCH-eb7b662f-2
0.296
EDJ-MED-e58735b6-2
0.296