Molecular Properties | |
SMILES: | Cc1cccc([C@H](C)C(=O)Nc2ccn[nH]2)c1 |
MW: | 229.12 |
Fraction sp3: | 0.23 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 57.78 |
cLogP: | 2.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
SAM-UNK-2684b532-7
0.370
JAN-GHE-83b26c96-5
0.365
TRY-UNI-2eddb1ff-5
0.365
TRY-UNI-2eddb1ff-4
0.365
JAN-GHE-83b26c96-4
0.365
TRY-UNI-714a760b-18
0.365
SAM-UNK-2684b532-6
0.364
DAR-DIA-0cde14eb-11
0.346
TRY-UNI-714a760b-15
0.338
JAN-GHE-83b26c96-2
0.333
SAM-UNK-2684b532-5
0.329
TRY-UNI-714a760b-22
0.329
JAN-GHE-83b26c96-3
0.321
JAN-GHE-83b26c96-6
0.321
DAR-DIA-0cde14eb-10
0.317
DAR-DIA-0cde14eb-13
0.313
DAR-DIA-0cde14eb-12
0.313
BRU-CON-67e07230-1
0.312
MAK-UNK-f203cb68-22
0.311
MAK-UNK-f203cb68-2
0.310
BEN-DND-93268d01-1
0.309
BEN-DND-03406596-4
0.309
BEN-DND-03406596-11
0.309
BEN-DND-03406596-12
0.309
TRY-UNI-714a760b-21
0.305
MAK-UNK-f203cb68-19
0.302
DAR-DIA-0cde14eb-15
0.302
MAK-UNK-f203cb68-4
0.300
MAK-UNK-f203cb68-13
0.300
MAK-UNK-f203cb68-21
0.300
MAR-TRE-92684b97-86
0.299
KEI-TRE-d5e2018a-29
0.296
SEL-UNI-cd366922-9
0.296
DAR-DIA-0cde14eb-56
0.295
MAR-TRE-92684b97-85
0.295
MAK-UNK-f203cb68-12
0.293
MAK-UNK-f203cb68-20
0.290
BAR-COM-0f94fc3d-46
0.289
MAK-UNK-f203cb68-17
0.289
MAR-TRE-9d18ae8c-22
0.289
TRY-UNI-714a760b-17
0.288
AHN-SAT-202241f6-1
0.288
DAR-DIA-0cde14eb-41
0.286
MAK-UNK-f203cb68-11
0.284
MAK-UNK-af83ef51-4
0.284
WAR-XCH-eb7b662f-6
0.282
MAT-POS-b5746674-75
0.278
AMI-SHA-46bf737e-1
0.276
DAR-DIA-0cde14eb-55
0.273
MAK-UNK-3e0761f8-4
0.273
JAN-GHE-83b26c96-7
0.272
BEN-DND-93268d01-15
0.270
TRY-UNI-2eddb1ff-3
0.269
JAN-GHE-83b26c96-10
0.268
JOH-UNI-c7afdb96-8
0.267
DAR-DIA-0cde14eb-58
0.267
DAR-DIA-0cde14eb-57
0.267
GIA-UNK-7337c2f3-8
0.266
MAT-POS-fce787c2-3
0.265
MAT-POS-1e5f28a7-1
0.265
JOH-UNI-c7afdb96-13
0.263
BEN-DND-93268d01-16
0.263
TRY-UNI-714a760b-14
0.263
MED-COV-4280ac29-23
0.263
MAK-UNK-ec98eaf6-1
0.261
DAR-DIA-0cde14eb-40
0.261
JOH-UNI-c7afdb96-7
0.260
KEI-TRE-d5e2018a-17
0.259
MED-COV-4280ac29-7
0.259
JAN-GHE-83b26c96-9
0.259
RAL-MED-2de63afb-16
0.259
RAL-MED-2de63afb-15
0.259
KEI-TRE-d5e2018a-24
0.259
DAR-DIA-0cde14eb-42
0.258
DAR-DIA-0cde14eb-44
0.258
DAR-DIA-0cde14eb-60
0.258
MAK-UNK-2c1752f0-2
0.258
MAK-UNK-ec98eaf6-9
0.256
TRY-UNI-9f475305-8
0.256
MAK-UNK-f203cb68-8
0.256
JOH-UNI-c7afdb96-6
0.253
MIH-UNI-e573136b-7
0.253
KEI-TRE-d5e2018a-40
0.250
DAR-DIA-0cde14eb-43
0.250
MAK-UNK-f203cb68-10
0.247
WAL-WAB-df110a02-2
0.247
DAR-DIA-2b784ede-45
0.245
SIM-SYN-f15aaa3a-2
0.244
WAR-XCH-b6889685-49
0.244
MAK-UNK-f203cb68-16
0.244
JAN-GHE-83b26c96-1
0.244
EDG-MED-0da5ad92-5
0.244
MAR-TRE-2fd8122f-97
0.244
JON-UIO-066ce08b-7
0.244
WIL-LEE-1f71e281-3
0.244
TRY-UNI-9f475305-3
0.242
SAM-UNK-2684b532-3
0.242
MAK-UNK-f203cb68-15
0.241
BAR-COM-0f94fc3d-19
0.241
LON-WEI-b8d98729-20
0.240