Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1Cc1ccc(CCNC(=O)NC2CCCCC2)c(NC(=O)CCc2ccccc2)c1 |
MW: | 541.696 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 11 |
TPSA: | 112.22 |
cLogP: | 5.3765 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-f2409524-36
0.625
PET-SGC-c429dc17-1
0.582
CES-WAB-18e74d70-1
0.582
DAR-DIA-03336633-7
0.581
DAR-DIA-03336633-1
0.542
HAN-NEW-5f56c3bc-3
0.542
DAR-DIA-03336633-5
0.491
DAR-DIA-03336633-6
0.487
DAR-DIA-03336633-3
0.483
MAK-UNK-f2409524-15
0.481
DAR-DIA-03336633-2
0.477
DAR-DIA-03336633-4
0.458
MAK-UNK-f2409524-32
0.408
MAK-UNK-f2409524-33
0.398
LON-WEI-af038623-1
0.398
MAK-UNK-f2409524-18
0.391
MAK-UNK-f2409524-34
0.387
DAR-DIA-03336633-9
0.381
AAR-POS-d2a4d1df-12
0.379
MAK-UNK-f2409524-31
0.378
MAK-UNK-f2409524-16
0.374
MAK-UNK-f2409524-27
0.374
MAK-UNK-f2409524-2
0.368
MAK-UNK-f2409524-17
0.361
DAR-DIA-03336633-11
0.358
SAD-SAT-7d5528d9-2
0.356
DAR-DIA-03336633-8
0.355
MAK-UNK-f2409524-21
0.355
MAK-UNK-f2409524-28
0.352
MAK-UNK-f2409524-30
0.352
WIL-UNI-5578df48-11
0.349
DAR-DIA-03336633-10
0.341
MAK-UNK-f2409524-26
0.336
MAK-UNK-f2409524-1
0.336
RIT-AID-b8bd8251-1
0.331
SIM-SYN-a98e6a07-4
0.320
AAR-UNI-c25c2f1e-3
0.316
PET-SGC-a9e9d4f4-1
0.315
TRY-UNI-714a760b-11
0.315
ALE-HEI-f28a35b5-7
0.315
DAR-DIA-03336633-13
0.312
NIM-UNI-363644a0-2
0.310
ALE-HEI-f28a35b5-8
0.308
MAK-UNK-f2409524-19
0.308
MAK-UNK-b2c98f02-2
0.307
CHA-KIN-ceadbd93-2
0.306
MAK-UNK-f2409524-25
0.305
ALP-POS-f13221e1-4
0.304
BEN-DND-93268d01-6
0.302
MAK-UNK-f2409524-24
0.302
MAK-UNK-f2409524-29
0.299
MAK-UNK-f2409524-23
0.297
MAK-UNK-f2409524-20
0.297
MAK-UNK-f203cb68-2
0.295
BEN-DND-93268d01-5
0.292
CHA-KIN-ceadbd93-3
0.292
MAK-UNK-f2409524-14
0.288
CHA-KIN-ceadbd93-6
0.287
ANU-UNK-2781581f-2
0.287
MAK-UNK-129dcd6f-6
0.286
MAK-UNK-f2409524-3
0.286
TRY-UNI-714a760b-5
0.284
MAK-UNK-7264f48c-2
0.282
MAK-UNK-b2c98f02-5
0.281
AAR-UNI-c25c2f1e-96
0.281
NAT-WAB-78d8bb1c-2
0.278
SIM-DEM-1d7050d3-1
0.276
MAK-UNK-f2409524-37
0.273
MAK-UNK-b2c98f02-1
0.271
THO-SYG-cc9e9a11-6
0.270
MAK-UNK-129dcd6f-7
0.270
ALP-POS-95b75b4d-10
0.270
CHO-MSK-6e55470f-8
0.270
MAR-TRE-6a44bbf2-9
0.270
SIM-DEM-2843056b-6
0.269
CHA-KIN-ceadbd93-1
0.267
MAK-UNK-b2c98f02-4
0.267
MIC-UNK-ea979c74-3
0.267
PET-SGC-83d43576-1
0.266
MAK-UNK-f2409524-7
0.266
SIM-DEM-2843056b-4
0.266
WAR-XCH-b0339bbe-9
0.265
ALP-POS-95b75b4d-4
0.264
CHO-MSK-6e55470f-7
0.264
MAR-LAB-efb042c5-2
0.262
MAR-TRE-f6f5f473-89
0.262
MAK-UNK-f203cb68-1
0.262
NAT-WAB-78d8bb1c-1
0.262
CHA-KIN-ceadbd93-5
0.261
ANN-UNI-98d2bf15-2
0.261
CHR-SOS-59746812-5
0.261
MAK-UNK-f2409524-4
0.260
NIC-UNI-f08e2453-2
0.259
CHO-MSK-6e55470f-18
0.259
MAK-UNK-b2c98f02-7
0.258
MIC-UNK-ea979c74-4
0.257
BEN-DND-93268d01-4
0.256
MAT-POS-bb423b95-4
0.256
ALP-POS-95b75b4d-5
0.256
CHA-MCP-85291e1d-1
0.256