Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1COC1CCCCC1CNC(=O)NC1CCCCC1 |
MW: | 402.539 |
Fraction sp3: | 0.68 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 92.35 |
cLogP: | 3.7473 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-SGC-c429dc17-1
0.576
CES-WAB-18e74d70-1
0.576
MAK-UNK-f2409524-15
0.527
MAK-UNK-f2409524-33
0.516
MAK-UNK-f2409524-34
0.510
MAK-UNK-f2409524-30
0.476
MAK-UNK-f2409524-31
0.474
MAK-UNK-f2409524-2
0.463
DAR-DIA-03336633-5
0.444
MAK-UNK-f2409524-27
0.442
DAR-DIA-03336633-1
0.440
HAN-NEW-5f56c3bc-3
0.440
DAR-DIA-03336633-7
0.436
MAK-UNK-f2409524-18
0.433
MAK-UNK-f2409524-21
0.430
DAR-DIA-03336633-6
0.429
MAK-UNK-f2409524-26
0.423
MAK-UNK-f2409524-36
0.412
DAR-DIA-03336633-3
0.411
MAK-UNK-f2409524-16
0.410
MAK-UNK-f2409524-35
0.408
DAR-DIA-03336633-4
0.400
MAK-UNK-f2409524-28
0.398
MAK-UNK-f2409524-1
0.394
ALE-HEI-f28a35b5-7
0.391
TRY-UNI-714a760b-11
0.391
LON-WEI-af038623-1
0.384
MAK-UNK-f2409524-17
0.379
DAR-DIA-03336633-2
0.375
MAK-UNK-f2409524-19
0.374
CHA-KIN-ceadbd93-3
0.374
CHA-KIN-ceadbd93-2
0.363
MAK-UNK-f2409524-24
0.362
MAK-UNK-f2409524-20
0.361
MAK-UNK-f2409524-23
0.355
AAR-POS-d2a4d1df-12
0.344
ALE-HEI-f28a35b5-8
0.337
CHA-KIN-ceadbd93-6
0.333
MAK-UNK-f2409524-29
0.330
MAK-UNK-f2409524-25
0.327
TRY-UNI-714a760b-7
0.323
MAK-UNK-f2409524-22
0.320
MAK-UNK-f2409524-37
0.312
MAK-UNK-f2409524-14
0.308
MAK-UNK-f2409524-3
0.307
CHA-KIN-ceadbd93-5
0.303
CHA-KIN-ceadbd93-1
0.299
JOH-IMS-d6628593-3
0.297
MAK-UNK-f203cb68-2
0.292
TRY-UNI-714a760b-16
0.292
AAR-UNI-c25c2f1e-3
0.291
DAR-DIA-03336633-11
0.291
CHA-KIN-6d173bb5-2
0.291
MAK-UNK-7264f48c-2
0.290
NAU-LAT-3f5f3993-2
0.289
SIM-DEM-2843056b-2
0.288
CHO-MSK-6e55470f-7
0.288
SAD-SAT-7d5528d9-2
0.287
NAM-UNK-f7c77a48-2
0.286
NAT-WAB-78d8bb1c-2
0.284
TRY-UNI-714a760b-10
0.284
ALE-HEI-f28a35b5-6
0.284
JOH-IMS-d6628593-1
0.284
EDG-MED-0da5ad92-4
0.284
ANU-UNK-2781581f-2
0.283
CHA-KIN-ceadbd93-4
0.280
DAR-DIA-03336633-9
0.279
CHO-MSK-6e55470f-2
0.278
MAK-UNK-f2409524-4
0.275
CHO-MSK-6e55470f-8
0.275
BEN-DND-6de5dfa0-14
0.275
MAK-UNK-f2409524-6
0.274
DOU-UNK-b5326f8f-3
0.274
NIC-UNI-f08e2453-2
0.274
CHA-KIN-6d173bb5-1
0.273
PET-SGC-a9e9d4f4-1
0.271
PET-SGC-f913cec9-1
0.270
THO-SYG-cc9e9a11-5
0.267
DAR-DIA-03336633-13
0.265
MAK-UNK-f203cb68-1
0.265
MAK-UNK-6435e6c2-8
0.265
AAR-POS-d2a4d1df-3
0.265
DAR-DIA-03336633-12
0.265
NIM-UNI-363644a0-2
0.264
MAR-TRE-3159af1a-49
0.264
MAR-TRE-74c6519b-48
0.264
MAR-TRE-74c6519b-81
0.262
ASH-UNK-40b46b30-16
0.262
MAT-POS-590ac91e-7
0.260
MAR-TRE-3e4e6814-82
0.260
SIM-DEM-2843056b-4
0.259
MAK-UNK-f2409524-7
0.259
WAR-XCH-b0339bbe-9
0.259
MAT-POS-173a45da-2
0.258
SAD-SAT-24589cd1-8
0.257
ALP-POS-95b75b4d-4
0.257
JAG-UCB-a3ef7265-23
0.257
NAU-LAT-0543f7f2-1
0.257
JAN-GHE-76def03c-1
0.256
MAK-UNK-748f8b7a-9
0.256