Molecular Properties | |
SMILES: | CC[C@H](OC1CCCC1)C(=O)Nc1cnccc1O |
MW: | 264.15 |
Fraction sp3: | 0.57 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 71.45 |
cLogP: | 2.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-93268d01-15
0.423
ALP-POS-95b75b4d-6
0.368
MAR-TRE-7f7bb9f0-91
0.359
MAR-TRE-9c797165-1
0.354
CHA-KIN-ceadbd93-3
0.346
TRY-UNI-714a760b-16
0.333
MAR-TRE-f6f5f473-51
0.329
MAT-POS-590ac91e-5
0.329
MAT-POS-590ac91e-10
0.321
MAT-POS-590ac91e-19
0.316
ALE-HEI-f28a35b5-7
0.312
TRY-UNI-714a760b-11
0.312
MAT-POS-590ac91e-14
0.309
EDG-MED-0da5ad92-4
0.308
ALE-HEI-f28a35b5-6
0.308
TRY-UNI-714a760b-10
0.308
MAT-POS-590ac91e-1
0.306
MAT-POS-590ac91e-2
0.306
ERI-UCB-5b47150d-1
0.306
ALP-POS-95b75b4d-4
0.302
MAT-POS-590ac91e-8
0.300
CHA-KIN-ceadbd93-2
0.300
CES-WAB-18e74d70-1
0.295
PET-SGC-c429dc17-1
0.295
MAT-POS-590ac91e-7
0.295
ERI-UCB-5b47150d-6
0.295
MAK-UNK-f2409524-18
0.293
ALE-HEI-f28a35b5-13
0.293
MAT-POS-590ac91e-22
0.291
JOH-IMS-d6628593-3
0.289
MAT-POS-5d20d11c-1
0.289
MAT-POS-590ac91e-16
0.289
BEN-DND-93268d01-2
0.289
SAM-UNK-2684b532-8
0.286
MAK-UNK-f2409524-22
0.286
SAD-SAT-89668ff1-3
0.286
ALE-HEI-f28a35b5-11
0.284
MAT-POS-590ac91e-21
0.284
MAT-POS-bb423b95-5
0.282
EDG-MED-0da5ad92-5
0.282
JOH-IMS-62aeb97d-1
0.282
ALP-POS-3fc1724e-7
0.282
MAK-UNK-f2409524-31
0.281
JAN-GHE-83b26c96-8
0.281
BAR-COM-0f94fc3d-59
0.281
BEN-DND-93268d01-14
0.280
MAK-UNK-f2409524-16
0.280
SAM-UNK-2684b532-10
0.280
MED-UNK-e6e8ef8a-1
0.278
MED-UNK-e6e8ef8a-7
0.278
JOH-IMS-d6628593-2
0.278
TRY-UNI-2eddb1ff-3
0.277
MAT-POS-590ac91e-11
0.276
MAT-POS-590ac91e-13
0.276
JOH-IMS-d6628593-1
0.275
BEN-DND-93268d01-11
0.275
EDG-MED-0da5ad92-9
0.274
JOH-IMS-d6628593-4
0.274
SAM-UNK-2684b532-7
0.274
ASH-UNK-40b46b30-13
0.273
SAM-UNK-2684b532-5
0.273
MAK-UNK-f2409524-20
0.273
MAK-UNK-f203cb68-3
0.272
BEN-DND-93268d01-3
0.272
TRY-UNI-2eddb1ff-5
0.271
TRY-UNI-2eddb1ff-4
0.271
JAN-GHE-83b26c96-5
0.271
JAN-GHE-83b26c96-4
0.271
BAR-COM-0f94fc3d-34
0.271
MAT-POS-590ac91e-25
0.271
TRY-UNI-714a760b-18
0.271
ASH-SAT-43770c7d-9
0.270
DAR-DIA-0cde14eb-26
0.270
MAK-UNK-f2409524-1
0.269
JAN-GHE-83b26c96-3
0.269
MAK-UNK-f2409524-26
0.269
MIH-UNI-6b9ca91a-2
0.269
AAR-POS-d2a4d1df-3
0.269
MAK-UNK-6435e6c2-8
0.269
MED-UNK-e6e8ef8a-4
0.268
BEN-DND-6de5dfa0-10
0.268
MAK-UNK-f2409524-21
0.268
TRY-UNI-2eddb1ff-8
0.268
MAK-UNK-6ca90168-27
0.268
JIN-POS-6dc588a4-3
0.267
ALP-POS-95b75b4d-10
0.267
BAR-COM-0f94fc3d-49
0.267
MAK-UNK-f2409524-15
0.266
MAK-UNK-f2409524-2
0.266
BRU-LEF-c49414a7-1
0.266
MAR-TRE-2fd8122f-30
0.266
SAM-UNK-2684b532-9
0.266
RAL-THA-901e9a10-7
0.266
AAR-POS-d2a4d1df-13
0.266
ALE-HEI-f28a35b5-9
0.266
FRA-FAC-9ed5a63a-1
0.266
MAT-POS-590ac91e-18
0.266
JOH-IMS-62aeb97d-2
0.266
MAK-UNK-f2409524-33
0.265
HAN-NEW-5f56c3bc-3
0.265