Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1CC1CCCN(C(=O)NC2CCCCC2)C1 |
MW: | 358.486 |
Fraction sp3: | 0.65 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 74.33 |
cLogP: | 3.3368 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-f2409524-27
0.478
CES-WAB-18e74d70-1
0.477
PET-SGC-c429dc17-1
0.477
MAK-UNK-f2409524-15
0.467
MAK-UNK-f2409524-2
0.452
MAK-UNK-f2409524-34
0.441
MAK-UNK-f2409524-21
0.433
MAK-UNK-f2409524-31
0.433
MAK-UNK-f2409524-33
0.414
MAK-UNK-f2409524-1
0.411
MAK-UNK-f2409524-26
0.411
MAK-UNK-f2409524-30
0.410
MAK-UNK-f2409524-32
0.398
CHA-KIN-ceadbd93-2
0.395
DOU-UNK-b5326f8f-3
0.394
MAK-UNK-f2409524-20
0.391
MAK-UNK-f2409524-24
0.390
DAR-DIA-03336633-5
0.376
CHA-KIN-ceadbd93-3
0.375
MAK-UNK-f2409524-36
0.365
DAR-DIA-03336633-6
0.364
MAK-UNK-f2409524-19
0.361
ALE-HEI-f28a35b5-7
0.360
TRY-UNI-714a760b-11
0.360
MAK-UNK-f2409524-23
0.356
DAR-DIA-03336633-7
0.356
MAK-UNK-f2409524-29
0.355
MAK-UNK-f2409524-35
0.352
MAK-UNK-f2409524-25
0.352
MAK-UNK-f2409524-18
0.350
HAN-NEW-5f56c3bc-3
0.346
DAR-DIA-03336633-1
0.346
DAR-DIA-03336633-3
0.336
CHA-KIN-ceadbd93-6
0.333
ANU-UNK-2781581f-2
0.333
DAR-DIA-03336633-4
0.327
DAR-DIA-03336633-9
0.327
MAK-UNK-7264f48c-2
0.327
EDG-MED-0da5ad92-4
0.326
ALE-HEI-f28a35b5-6
0.326
TRY-UNI-714a760b-10
0.326
SAD-SAT-7d5528d9-2
0.324
MAK-UNK-f2409524-16
0.321
NAU-LAT-3f5f3993-2
0.315
DAR-DIA-03336633-11
0.314
BEN-DND-6de5dfa0-14
0.312
MAK-UNK-f2409524-17
0.311
ALE-HEI-f28a35b5-8
0.307
MAK-UNK-f2409524-22
0.305
MAK-UNK-f203cb68-2
0.304
LON-WEI-af038623-1
0.304
MAK-UNK-f203cb68-1
0.299
DAR-DIA-03336633-2
0.299
DAR-DIA-03336633-8
0.299
CHA-KIN-ceadbd93-1
0.298
SAD-SAT-7d5528d9-6
0.295
CHA-KIN-ceadbd93-4
0.291
TRY-UNI-714a760b-16
0.290
SAD-SAT-7d5528d9-35
0.290
CHA-KIN-ceadbd93-5
0.289
MAT-POS-590ac91e-7
0.286
AAR-POS-d2a4d1df-12
0.286
DAR-DIA-03336633-12
0.286
NAM-UNK-f7c77a48-2
0.284
DAR-DIA-03336633-10
0.284
NAT-WAB-78d8bb1c-2
0.283
DAR-DIA-0cde14eb-18
0.282
DAR-DIA-0cde14eb-17
0.282
DAR-DIA-0cde14eb-19
0.282
TRY-UNI-714a760b-7
0.280
AAR-POS-d2a4d1df-3
0.278
MAK-UNK-6435e6c2-8
0.278
MAT-POS-ea426761-47
0.278
DAR-DIA-0cde14eb-16
0.278
ALE-HEI-f28a35b5-17
0.278
SCO-VAN-260d9628-1
0.278
SAD-SAT-24589cd1-9
0.277
BEN-DND-6de5dfa0-10
0.277
MAT-POS-590ac91e-19
0.275
EDJ-MED-3c65e9ce-4
0.274
SAD-SAT-7d5528d9-50
0.274
EDJ-MED-3c65e9ce-2
0.273
MAT-POS-136e7878-1
0.273
MAK-UNK-f2409524-6
0.273
HAR-NEW-ca1d46ce-2
0.270
SAD-SAT-24589cd1-6
0.270
BEN-DND-6de5dfa0-6
0.270
BEN-DND-93268d01-11
0.269
SAD-SAT-7d5528d9-7
0.269
EDG-MED-0da5ad92-9
0.268
JOH-IMS-d6628593-3
0.267
CHO-MSK-6e55470f-2
0.266
ALP-POS-3fc1724e-7
0.265
MAK-UNK-748f8b7a-9
0.264
SAD-SAT-7d5528d9-5
0.264
DAR-DIA-03336633-13
0.264
EDJ-MED-3c65e9ce-1
0.263
DAR-DIA-0cde14eb-29
0.263
MAR-TRE-04c86cea-8
0.263
BEN-DND-93268d01-8
0.263