Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1CCCn1cc(C2CCCCC2)nn1 |
MW: | 327.432 |
Fraction sp3: | 0.56 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 72.7 |
cLogP: | 3.312 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-f2409524-23
0.628
MAK-UNK-f2409524-2
0.506
MAK-UNK-f2409524-27
0.483
MAK-UNK-f2409524-26
0.478
MAK-UNK-f2409524-1
0.478
MAK-UNK-f2409524-15
0.473
PET-SGC-c429dc17-1
0.449
CES-WAB-18e74d70-1
0.449
MAK-UNK-f2409524-29
0.410
MAK-UNK-f2409524-25
0.394
MAK-UNK-f2409524-28
0.390
MAK-UNK-f2409524-31
0.366
MAK-UNK-f2409524-21
0.366
MAK-UNK-f2409524-34
0.364
NAT-WAB-78d8bb1c-2
0.364
MAK-UNK-f2409524-32
0.362
CHA-KIN-ceadbd93-2
0.352
MAK-UNK-f2409524-33
0.350
CHA-KIN-ceadbd93-3
0.348
DAR-DIA-03336633-6
0.343
MAK-UNK-f2409524-30
0.336
DAR-DIA-03336633-5
0.327
HAN-NEW-5f56c3bc-3
0.324
DAR-DIA-03336633-1
0.324
MAK-UNK-f2409524-36
0.322
DAR-DIA-03336633-7
0.321
MAK-UNK-7264f48c-2
0.317
DAR-DIA-03336633-3
0.315
SAD-SAT-7d5528d9-2
0.314
MAK-UNK-f2409524-19
0.310
ANU-UNK-2781581f-2
0.310
CHA-KIN-ceadbd93-6
0.310
MAK-UNK-f2409524-20
0.309
DAR-DIA-03336633-9
0.305
DAR-DIA-03336633-11
0.305
MAK-UNK-f2409524-35
0.302
JOH-IMS-d6628593-1
0.300
DAR-DIA-03336633-4
0.296
MAK-UNK-f2409524-22
0.295
CHA-KIN-ceadbd93-4
0.294
SAD-SAT-7d5528d9-35
0.292
CHA-KIN-6d173bb5-2
0.292
DAR-DIA-03336633-8
0.290
ALE-HEI-f28a35b5-7
0.289
TRY-UNI-714a760b-11
0.289
MAK-UNK-f2409524-18
0.288
CHA-KIN-ceadbd93-1
0.287
TRY-UNI-714a760b-10
0.286
SAD-SAT-7d5528d9-6
0.286
EDG-MED-0da5ad92-4
0.286
ALE-HEI-f28a35b5-6
0.286
MAK-UNK-f203cb68-2
0.282
JUL-TUD-06b2044f-146
0.280
CHO-MSK-6e55470f-2
0.279
CHA-KIN-ceadbd93-5
0.278
MAK-UNK-f203cb68-1
0.278
CHO-MSK-6e55470f-16
0.277
MAK-UNK-f2409524-16
0.277
CHA-KIN-6d173bb5-1
0.274
MAK-UNK-f2409524-17
0.270
JOH-IMS-d6628593-3
0.270
LON-WEI-af038623-1
0.269
CHO-MSK-6e55470f-7
0.268
TRY-UNI-714a760b-16
0.266
MAK-UNK-6435e6c2-8
0.266
AAR-POS-d2a4d1df-3
0.266
SIM-SYN-a98e6a07-4
0.265
FRA-FAC-9ed5a63a-1
0.264
AAR-POS-d2a4d1df-13
0.264
ALE-HEI-f28a35b5-9
0.264
DAR-DIA-03336633-10
0.264
BEN-DND-6de5dfa0-14
0.263
TRY-UNI-9f475305-5
0.261
PET-SGC-01d224dd-1
0.261
DAR-DIA-0cde14eb-18
0.261
RIT-AID-b8bd8251-1
0.260
LON-WEI-0a73fcb8-7
0.259
CHA-KIN-04ae69e8-1
0.259
CHA-KIN-cd2ef30b-3
0.256
DAR-DIA-03336633-2
0.255
CHA-KIN-cd2ef30b-2
0.254
ALE-HEI-f28a35b5-8
0.253
MED-UNK-e6e8ef8a-4
0.253
MAR-TRE-3e4e6814-28
0.252
THO-SYG-cc9e9a11-6
0.252
MAT-POS-136e7878-1
0.252
DOU-UNK-b5326f8f-3
0.250
MAT-POS-590ac91e-19
0.250
NAU-LAT-3f5f3993-2
0.250
DAR-DIA-0cde14eb-17
0.250
EDJ-MED-3c65e9ce-2
0.250
CHA-KIN-cd2ef30b-1
0.250
CHA-KIN-f512e507-1
0.248
IAN-BAS-b0010df8-1
0.248
MAK-UNK-129dcd6f-1
0.248
MED-UNK-e6e8ef8a-5
0.247
MED-UNK-e6e8ef8a-1
0.247
MAT-POS-590ac91e-7
0.247
ERI-UCB-5b47150d-6
0.247
JAG-UCB-a3ef7265-3
0.245