Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1CCNC(=O)NC1CCCCC1 |
MW: | 304.394 |
Fraction sp3: | 0.56 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 83.12 |
cLogP: | 2.2144 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CES-WAB-18e74d70-1
1.000
MAK-UNK-f2409524-15
0.761
DAR-DIA-03336633-5
0.720
HAN-NEW-5f56c3bc-3
0.711
DAR-DIA-03336633-1
0.711
DAR-DIA-03336633-7
0.701
DAR-DIA-03336633-6
0.679
DAR-DIA-03336633-3
0.651
DAR-DIA-03336633-4
0.628
MAK-UNK-f2409524-36
0.598
MAK-UNK-f2409524-35
0.582
LON-WEI-af038623-1
0.577
MAK-UNK-f2409524-27
0.577
MAK-UNK-f2409524-32
0.576
MAK-UNK-f2409524-33
0.566
MAK-UNK-f2409524-2
0.562
MAK-UNK-f2409524-34
0.557
DAR-DIA-03336633-2
0.554
MAK-UNK-f2409524-31
0.536
AAR-POS-d2a4d1df-12
0.529
MAK-UNK-f2409524-1
0.512
MAK-UNK-f2409524-26
0.512
MAK-UNK-f2409524-18
0.506
MAK-UNK-f2409524-17
0.490
MAK-UNK-f2409524-16
0.489
MAK-UNK-f2409524-28
0.477
MAK-UNK-f2409524-21
0.466
TRY-UNI-714a760b-11
0.466
ALE-HEI-f28a35b5-7
0.466
MAK-UNK-f2409524-24
0.449
MAK-UNK-f2409524-19
0.435
CHA-KIN-ceadbd93-3
0.423
MAK-UNK-f2409524-30
0.423
DAR-DIA-03336633-11
0.422
MAK-UNK-f2409524-20
0.422
MAK-UNK-f2409524-29
0.418
MAK-UNK-f2409524-25
0.417
CHA-KIN-ceadbd93-2
0.410
DAR-DIA-03336633-9
0.407
ALE-HEI-f28a35b5-8
0.400
NAT-WAB-78d8bb1c-2
0.400
MAK-UNK-f2409524-3
0.388
MAK-UNK-f2409524-23
0.379
NIM-UNI-363644a0-2
0.377
DAR-DIA-03336633-8
0.372
CHA-KIN-ceadbd93-6
0.371
MAK-UNK-f2409524-14
0.370
DAR-DIA-03336633-10
0.368
JOH-IMS-d6628593-1
0.367
TRY-UNI-714a760b-7
0.362
PET-SGC-a9e9d4f4-1
0.360
MAK-UNK-f2409524-37
0.357
JOH-IMS-d6628593-3
0.351
MAK-UNK-f2409524-4
0.344
MAK-UNK-f2409524-22
0.341
SIM-SYN-a98e6a07-4
0.340
NAU-LAT-3f5f3993-2
0.337
AAR-UNI-c25c2f1e-3
0.337
CHA-KIN-ceadbd93-1
0.333
ALE-HEI-f28a35b5-6
0.333
EDG-MED-0da5ad92-4
0.333
TRY-UNI-714a760b-10
0.333
AAR-UNI-c25c2f1e-96
0.333
CHA-KIN-6d173bb5-2
0.330
SAD-SAT-7d5528d9-2
0.330
DOU-UNK-b5326f8f-3
0.330
ANU-UNK-2781581f-2
0.326
TRY-UNI-714a760b-16
0.325
CHA-KIN-ceadbd93-5
0.322
CHA-KIN-6d173bb5-1
0.321
MAK-UNK-7264f48c-2
0.319
MAK-UNK-6435e6c2-8
0.319
AAR-POS-d2a4d1df-3
0.319
MAR-TRE-b77b7921-35
0.319
BEN-DND-6de5dfa0-14
0.318
MAK-UNK-f2409524-6
0.313
NIC-UNI-f08e2453-2
0.311
MAK-UNK-f2409524-7
0.309
MAK-UNK-f203cb68-2
0.309
MAT-POS-590ac91e-7
0.305
ALE-HEI-f28a35b5-13
0.304
PET-SGC-f913cec9-1
0.304
DAR-DIA-03336633-13
0.303
SIM-DEM-2843056b-2
0.303
MAK-UNK-f203cb68-1
0.303
MIC-UNK-ea979c74-4
0.302
DAR-DIA-03336633-12
0.301
NAU-LAT-0543f7f2-3
0.301
NAU-LAT-30527ac5-5
0.301
MAT-POS-590ac91e-24
0.298
MAK-UNK-129dcd6f-6
0.298
SIM-DEM-2843056b-4
0.296
MAR-TRE-74c6519b-57
0.295
CHA-KIN-ceadbd93-4
0.295
THO-SYG-cc9e9a11-5
0.293
MAT-POS-590ac91e-19
0.293
ZAC-WAB-b0242612-1
0.291
THO-SYG-cc9e9a11-6
0.290
MAK-UNK-129dcd6f-2
0.290
JOH-IMS-d6628593-2
0.289