Molecular Properties | |
SMILES: | Cc1c(O)cncc1NC(=O)C(C)c1ccccc1 |
MW: | 256.12 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 62.22 |
cLogP: | 2.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
TRY-UNI-714a760b-14
0.661
BEN-DND-93268d01-15
0.574
TRY-UNI-714a760b-17
0.548
AHN-SAT-202241f6-1
0.548
BEN-DND-03406596-4
0.468
BEN-DND-93268d01-1
0.468
BEN-DND-03406596-11
0.468
BEN-DND-03406596-12
0.468
TRY-UNI-714a760b-15
0.438
TRY-UNI-714a760b-21
0.397
MAK-UNK-f203cb68-13
0.384
MAK-UNK-f203cb68-22
0.364
TRY-UNI-714a760b-8
0.357
JAN-GHE-83b26c96-4
0.355
TRY-UNI-714a760b-18
0.355
TRY-UNI-2eddb1ff-4
0.355
TRY-UNI-2eddb1ff-5
0.355
JAN-GHE-83b26c96-5
0.355
DAR-DIA-0cde14eb-57
0.349
ABI-SAT-4d06482b-1
0.347
MAK-UNK-f481d203-3
0.347
MAK-UNK-f481d203-4
0.347
MAK-UNK-919546f0-2
0.347
JAN-GHE-83b26c96-6
0.346
BEN-DND-93268d01-3
0.342
SAM-UNK-2684b532-7
0.342
JAN-GHE-83b26c96-2
0.342
MAT-POS-fce787c2-3
0.338
DAR-DIA-0cde14eb-12
0.337
BEN-DND-93268d01-14
0.333
TRY-UNI-714a760b-2
0.333
TRY-UNI-2eddb1ff-3
0.329
DAR-DIA-0cde14eb-55
0.326
BEN-DND-93268d01-2
0.325
DAR-DIA-0cde14eb-42
0.322
SAM-UNK-2684b532-5
0.321
TRY-UNI-714a760b-22
0.321
SAM-UNK-2684b532-6
0.321
DAR-DIA-0cde14eb-56
0.318
DAR-DIA-0cde14eb-58
0.318
SAM-UNK-2684b532-1
0.313
JAN-GHE-83b26c96-7
0.312
DAR-DIA-0cde14eb-10
0.310
MAK-UNK-f203cb68-21
0.308
DAR-DIA-0cde14eb-60
0.308
DAR-DIA-0cde14eb-11
0.306
DAR-DIA-0cde14eb-13
0.306
HAN-NEW-5f56c3bc-1
0.306
PED-UNI-5b7f1100-1
0.305
PED-UNI-8d53fd73-1
0.305
DRE-WAB-eb790b7a-1
0.305
DAN-RED-da448e80-1
0.305
MAK-UNK-f203cb68-2
0.302
MAK-UNK-f203cb68-12
0.301
JAN-GHE-83b26c96-9
0.300
JAN-GHE-83b26c96-3
0.299
TRY-UNI-714a760b-13
0.299
DAR-DIA-0cde14eb-40
0.297
SAM-UNK-2684b532-10
0.295
DAR-DIA-0cde14eb-15
0.295
MAK-UNK-f203cb68-4
0.293
DAR-DIA-0cde14eb-44
0.293
DAR-DIA-0cde14eb-41
0.293
TRY-UNI-714a760b-4
0.292
ALE-HEI-f28a35b5-1
0.292
TRY-UNI-714a760b-9
0.291
ADA-UNI-f8e79267-5
0.291
VLA-UNK-9a7dc93f-7
0.291
DAR-DIA-0cde14eb-70
0.286
MAK-UNK-ffc90da7-7
0.284
DAR-DIA-0cde14eb-43
0.284
BEN-DND-362d364a-12
0.284
PET-SGC-b0f8bd49-1
0.284
DRE-WAB-ae4a693c-1
0.284
PET-SGC-d0156db4-1
0.284
TRY-UNI-2eddb1ff-8
0.283
DAR-DIA-0cde14eb-73
0.282
MAK-UNK-f203cb68-17
0.282
DAR-DIA-0cde14eb-72
0.282
MAK-UNK-f203cb68-16
0.282
EDJ-MED-cf4b0d25-4
0.281
DAR-DIA-0cde14eb-71
0.279
SID-ELM-2583a2cd-17
0.278
WIL-UNI-5578df48-11
0.278
MAK-UNK-ffc90da7-1
0.278
MAK-UNK-c749d764-6
0.278
MAK-UNK-f203cb68-8
0.278
EDJ-MED-ee07cf00-7
0.278
JAN-GHE-83b26c96-10
0.277
TRY-UNI-714a760b-23
0.277
MAT-POS-1f3f1a6f-2
0.276
SID-ELM-2583a2cd-20
0.275
ADA-UNI-f8e79267-2
0.274
MAT-POS-1f3f1a6f-1
0.274
MAK-UNK-129dcd6f-6
0.273
ERI-UCB-5b47150d-1
0.271
MAT-POS-590ac91e-2
0.271
MAT-POS-590ac91e-1
0.271
TRY-UNI-714a760b-5
0.270
EDJ-MED-ee07cf00-4
0.270