Molecular Properties | |
SMILES: | CNCC1CC1(C(=O)Nc1cccnc1)c1ccccc1 |
MW: | 281.359 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 54.02 |
cLogP: | 2.1974 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ADA-UNI-f8e79267-3
0.781
ADA-UNI-f8e79267-12
0.676
ADA-UNI-f8e79267-9
0.538
CHR-SOS-f7373dd1-4
0.432
CHR-SOS-f7373dd1-1
0.421
JOH-IMS-62aeb97d-5
0.419
ADA-UNI-f8e79267-5
0.408
MAR-TRE-2fd8122f-27
0.406
MAK-UNK-ca11b4f7-3
0.403
AAR-POS-d2a4d1df-11
0.400
CHR-SOS-70e4c98a-6
0.400
PET-SGC-1fc12be1-1
0.400
SAN-PRS-52b81272-2
0.397
CHR-SOS-70e4c98a-8
0.390
MAR-TRE-67513f76-81
0.387
SAD-SAT-689b7d5a-9
0.387
WIL-UNI-5578df48-2
0.382
MAK-UNK-ca11b4f7-2
0.381
AUS-ARG-7cfdce8f-11
0.380
ADA-UNI-f8e79267-4
0.380
CHR-SOS-70e4c98a-3
0.380
MAR-TRE-b77b7921-85
0.378
SAN-PRS-52b81272-3
0.377
MAR-TRE-7f7bb9f0-46
0.377
MAK-UNK-ca11b4f7-1
0.375
CHR-SOS-f7373dd1-5
0.373
CHR-SOS-70e4c98a-1
0.370
CHR-SOS-59746812-1
0.367
DAR-DIA-842b4336-2
0.366
MED-UNK-e6e8ef8a-6
0.365
DAR-DIA-842b4336-11
0.365
ANT-DIA-3c79be55-4
0.364
CHR-SOS-f7373dd1-2
0.364
CHR-SOS-59746812-5
0.362
ALE-HEI-f28a35b5-14
0.362
MED-UNK-e6e8ef8a-3
0.360
LON-WEI-120e5cf5-11
0.359
MAR-TRE-4b834d9a-31
0.358
SAD-SAT-689b7d5a-4
0.354
MAR-TRE-04c86cea-86
0.354
MAR-TRE-04c86cea-76
0.352
AAR-POS-d2a4d1df-13
0.351
ALE-HEI-f28a35b5-9
0.351
FRA-FAC-9ed5a63a-1
0.351
MAK-UNK-a7b37c5e-1
0.351
JOH-IMS-62aeb97d-1
0.351
JOH-IMS-62aeb97d-2
0.351
MED-UNK-e6e8ef8a-4
0.351
MAR-TRE-9c797165-80
0.351
MAR-TRE-f6f5f473-78
0.351
CHR-SOS-7098f804-14
0.350
MAR-TRE-9c797165-52
0.350
WIL-UNI-5578df48-17
0.349
MAK-UNK-d1e89583-1
0.347
MAK-UNK-a7b37c5e-4
0.347
MED-UNK-e6e8ef8a-1
0.347
MED-UNK-e6e8ef8a-5
0.347
DRE-WAB-ae4a693c-1
0.346
KEI-TRE-d5e2018a-81
0.346
PET-SGC-d0156db4-1
0.346
JAG-UCB-a3ef7265-7
0.346
ASH-UNK-40b46b30-3
0.346
SAD-SAT-689b7d5a-10
0.346
BEN-DND-362d364a-12
0.346
MAR-TRE-2fd8122f-18
0.346
PET-SGC-b0f8bd49-1
0.346
NAU-LAT-445f63e5-6
0.345
MAR-TRE-7f7bb9f0-33
0.345
MAR-TRE-74c6519b-51
0.345
ALE-HEI-f28a35b5-15
0.343
SWA-SYN-59528602-3
0.342
DAR-DIA-842b4336-3
0.342
MAK-UNK-a7b37c5e-5
0.342
ALE-HEI-f28a35b5-16
0.342
FRA-FAC-9ed5a63a-2
0.342
MED-UNK-e6e8ef8a-2
0.342
MAK-UNK-a7b37c5e-2
0.342
DAR-DIA-842b4336-16
0.342
MAK-UNK-d1e89583-9
0.342
WIL-UNI-5578df48-3
0.342
MAR-TRE-74c6519b-47
0.342
CHR-SOS-7098f804-13
0.341
MAR-TRE-67513f76-20
0.341
MAR-TRE-2fd8122f-29
0.341
DAR-DIA-842b4336-10
0.338
ALE-HEI-f28a35b5-8
0.338
MAK-UNK-d1e89583-8
0.338
WIL-UNI-5578df48-4
0.338
MAR-TRE-04c86cea-97
0.338
ASH-UNK-40b46b30-9
0.337
MAR-TRE-9c797165-57
0.337
MAR-TRE-74c6519b-81
0.337
MAR-TRE-04c86cea-46
0.337
MAK-UNK-c749d764-17
0.333
ASH-UNK-40b46b30-13
0.333
MAK-UNK-d1e89583-6
0.333
ADA-UNI-f8e79267-2
0.333
KEI-TRE-d5e2018a-69
0.333
SAD-SAT-24589cd1-4
0.333
MAR-TRE-2fd8122f-81
0.333