Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(Cc2ccc(CNC(=O)CNCc3c[nH]c4ccc(F)cc34)cc2)CC1 |
MW: | 463.24 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 9 |
TPSA: | 80.47 |
cLogP: | 2.54 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-176ca439-5
0.798
MAK-UNK-72b7ba6b-1
0.798
ANT-OPE-d972fbad-1
0.452
MAT-POS-2db6411e-1
0.420
DAR-DIA-eace69ff-36
0.375
SAD-SAT-1f400d17-6
0.375
MAK-UNK-be5ffcbc-8
0.371
AHN-SAT-02ef6d10-10
0.366
MAK-UNK-be5ffcbc-7
0.364
MAK-UNK-be5ffcbc-1
0.362
ABI-SAT-30e287c1-2
0.362
MAK-UNK-176ca439-7
0.361
MAK-UNK-10572812-14
0.349
SAD-SAT-1f400d17-1
0.348
NAU-LAT-81109c57-8
0.347
JAN-GHE-c863d918-1
0.343
MAK-UNK-10572812-8
0.341
AAR-POS-d2a4d1df-2
0.340
MAK-UNK-6ca90168-13
0.337
JOO-IND-6372a4f3-4
0.333
JAN-GHE-6413aaf8-1
0.331
JAN-GHE-6413aaf8-5
0.330
JAN-GHE-6413aaf8-8
0.328
SAD-SAT-f0a2747f-8
0.328
JAN-GHE-6413aaf8-9
0.327
SAN-PRS-3c4a6997-4
0.327
MAK-UNK-10572812-17
0.325
NAU-LAT-81109c57-4
0.324
SAD-SAT-2ceae68f-8
0.323
SAD-SAT-581007d4-8
0.323
NAU-LAT-81109c57-2
0.321
MAK-UNK-176ca439-6
0.320
MAK-UNK-69e28b36-1
0.320
MAK-UNK-10572812-9
0.320
ANT-OPE-c0c3e7cc-1
0.320
MAR-TRE-7f7bb9f0-83
0.319
NAU-LAT-81109c57-1
0.317
JAN-GHE-6413aaf8-7
0.316
MAR-TRE-4f39ef4a-26
0.315
MAT-POS-4e253971-2
0.314
SAD-SAT-f0a2747f-6
0.314
MAK-UNK-10572812-3
0.313
MAK-UNK-10572812-15
0.312
FRA-LAB-04e32718-1
0.312
MAK-UNK-10572812-16
0.310
MAK-UNK-be5ffcbc-3
0.310
MAK-UNK-10dfa458-1
0.309
MAK-UNK-10572812-7
0.306
SAD-SAT-b55127ae-4
0.299
SAD-SAT-b55127ae-10
0.299
JAN-GHE-6413aaf8-6
0.298
MAK-UNK-10572812-2
0.298
NAU-LAT-f723e322-1
0.296
JOK-SYG-302da050-1
0.296
DAR-DIA-fb20be43-11
0.296
STU-CHA-bc0a9883-1
0.296
MAK-UNK-37f1d6fa-2
0.294
SCO-VAN-260d9628-6
0.292
MAR-TRE-85681e92-60
0.291
MAK-UNK-10dfa458-7
0.291
AHN-SAT-02ef6d10-2
0.287
MAK-UNK-10dfa458-14
0.287
BEN-VAN-d8fd1356-21
0.286
STU-CHA-128b80be-2
0.282
MAK-UNK-10dfa458-8
0.282
MAK-UNK-37f1d6fa-7
0.280
MAK-UNK-10dfa458-13
0.279
MAK-UNK-10dfa458-2
0.278
BEN-VAN-d8fd1356-22
0.278
MAK-UNK-10572812-6
0.277
NIR-THE-0d6461ce-3
0.277
MAK-UNK-37f1d6fa-6
0.276
JOH-UNI-0e1753c1-2
0.276
AHN-SAT-02ef6d10-6
0.276
SCO-VAN-260d9628-5
0.275
SAD-SAT-f0a2747f-9
0.275
MAK-UNK-37f1d6fa-3
0.274
NAU-LAT-81109c57-6
0.274
ANT-OPE-b90194ad-1
0.273
MAK-UNK-37f1d6fa-1
0.271
NAU-LAT-f723e322-2
0.271
MAK-UNK-10dfa458-5
0.270
BEN-DND-03ad4429-3
0.270
JOK-SYG-302da050-2
0.270
MAK-UNK-10572812-1
0.267
MAK-UNK-37f1d6fa-4
0.266
AAR-UNI-c25c2f1e-64
0.265
MAR-TRE-3724962b-29
0.264
MAR-TRE-799db12b-52
0.264
NIR-THE-b7e8e081-1
0.262
SEA-TRI-98d2cd42-1
0.260
JIA-UNI-93b03cae-1
0.260
WIL-LEE-23e8b574-2
0.260
MAK-UNK-10572812-4
0.259
JAN-GHE-bf40f168-9
0.259
DRR-IMP-38dce17f-2
0.257
ORN-MSD-5b974918-1
0.256
TOB-UNK-c2aba166-2
0.256
SAD-SAT-b55127ae-1
0.252
BEN-VAN-d8fd1356-27
0.252