Molecular Properties | |
SMILES: | C#Cc1ncccc1NC(=O)Cc1cccc(C)c1 |
MW: | 250.301 |
Fraction sp3: | 0.12 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 2.55252 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
triple bond
triple_bond
AAR-POS-d2a4d1df-11
AGN-NEW-c7b24fe3-3
0.742
AGN-NEW-c7b24fe3-5
0.698
AGN-NEW-c7b24fe3-2
0.580
AGN-NEW-c7b24fe3-4
0.507
ALP-POS-95b75b4d-9
0.493
RAL-THA-2d450e86-13
0.461
EDG-MED-0da5ad92-14
0.444
AGN-NEW-c7b24fe3-1
0.385
RAF-POL-b61b4b25-9
0.368
MAT-POS-bb423b95-2
0.361
MAK-UNK-a7b37c5e-3
0.361
ALP-POS-95b75b4d-1
0.359
JAN-GHE-83b26c96-13
0.346
ALP-POS-95b75b4d-2
0.346
EDJ-MED-e58735b6-2
0.346
TRY-UNI-714a760b-6
0.346
ALP-POS-95b75b4d-3
0.346
DAR-DIA-0cde14eb-76
0.346
JAN-GHE-83b26c96-14
0.346
ANN-UNI-98d2bf15-2
0.346
JAN-GHE-83b26c96-12
0.342
ABI-SAT-4d06482b-2
0.342
TRY-UNI-714a760b-20
0.341
MIC-UNK-08cd9c58-1
0.341
MAT-POS-f7918075-3
0.341
EDG-MED-0da5ad92-16
0.338
EDG-MED-0da5ad92-21
0.338
ALP-POS-95b75b4d-8
0.338
SAM-UNK-2684b532-13
0.338
EDG-MED-0da5ad92-17
0.338
DAR-DIA-0cde14eb-79
0.337
PET-UNK-c9c1e0d8-2
0.337
MAT-POS-29385cc1-3
0.337
MAT-POS-c20a539d-6
0.337
RUB-POS-1325a9ea-4
0.337
ALP-POS-95b75b4d-4
0.333
JIN-POS-6dc588a4-6
0.333
EDJ-MED-e58735b6-1
0.333
ANN-UNI-98d2bf15-5
0.333
JIN-POS-6dc588a4-24
0.329
JIN-POS-6dc588a4-15
0.329
RUB-POS-1325a9ea-19
0.329
PET-UNK-8df914d1-3
0.329
EDJ-MED-239d8ca5-1
0.326
DAR-DIA-0cde14eb-3
0.326
DAR-DIA-0cde14eb-77
0.326
MAR-TRE-3159af1a-4
0.323
JOH-UNI-ee5ed7c8-1
0.322
JOH-UNI-3fc3434e-1
0.322
RUB-POS-1325a9ea-14
0.322
PET-UNK-e274cad4-1
0.322
EDJ-MED-e58735b6-3
0.321
DAR-DIA-0cde14eb-78
0.321
TRY-UNI-714a760b-3
0.321
ANN-UNI-98d2bf15-3
0.321
JOH-UNI-abfda500-5
0.321
EDJ-MED-49816e9b-2
0.321
EDG-MED-0da5ad92-13
0.321
MAR-TRE-b77b7921-11
0.319
MIC-UNK-f2576da4-1
0.318
UNK-UNK-2ede4078-51
0.318
EDJ-MED-e58735b6-4
0.318
TRY-UNI-714a760b-19
0.318
DAR-DIA-0cde14eb-1
0.318
MAK-UNK-6ca90168-23
0.317
ALP-POS-95b75b4d-6
0.316
MAR-TRE-b77b7921-99
0.316
MAR-TRE-74c6519b-25
0.315
EDJ-MED-239d8ca5-2
0.315
DAR-DIA-0cde14eb-14
0.315
JOH-UNI-3fc3434e-3
0.315
JOH-UNI-ee5ed7c8-3
0.315
JIN-POS-6dc588a4-10
0.314
DAR-DIA-0cde14eb-2
0.314
JOH-UNI-6fede743-1
0.314
RUB-POS-1325a9ea-3
0.314
MIC-UNK-50cce87d-3
0.314
SAM-UNK-2684b532-12
0.313
SAD-SAT-24589cd1-5
0.313
MAT-POS-bb423b95-5
0.313
JIN-POS-6dc588a4-3
0.313
JIN-POS-6dc588a4-4
0.313
MIC-UNK-d935700b-1
0.313
EDG-MED-0da5ad92-15
0.312
MAT-POS-c20a539d-1
0.311
SAD-SAT-24589cd1-3
0.310
RUB-POS-1325a9ea-15
0.310
RUB-POS-1325a9ea-8
0.310
DAR-DIA-0cde14eb-4
0.310
RAL-THA-2d450e86-10
0.310
EDG-MED-0da5ad92-18
0.309
PET-UNK-f4e47ebd-2
0.308
PET-UNK-f4e47ebd-1
0.308
JAN-GHE-5a013bed-10
0.308
JOH-UNI-61f30276-4
0.307
EDJ-MED-6ab52e52-1
0.306
MAT-POS-bb423b95-1
0.306
JOH-UNI-abfda500-7
0.306
MIC-UNK-50cce87d-2
0.306
JIN-POS-6dc588a4-2
0.306