Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(Cc2cccc3c(CCNC(=O)CCCN(C)C)c[nH]c23)CC1 |
MW: | 425.577 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 71.68 |
cLogP: | 1.9986 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
JAN-GHE-6413aaf8-5
0.747
JAN-GHE-6413aaf8-7
0.678
JAN-GHE-6413aaf8-1
0.663
JAN-GHE-6413aaf8-6
0.635
PAT-UNK-b2d83456-4
0.616
JAN-GHE-6413aaf8-9
0.586
DUN-NEW-f8ce3686-24
0.576
DUN-NEW-f8ce3686-11
0.516
JAN-GHE-6413aaf8-4
0.486
DUN-NEW-f8ce3686-21
0.462
JAN-GHE-6413aaf8-2
0.454
JAN-GHE-6413aaf8-3
0.444
MAK-UNK-ec98eaf6-47
0.398
JAN-GHE-6413aaf8-10
0.379
JOO-IND-6372a4f3-4
0.376
PAT-UNK-b2d83456-5
0.375
JOH-MSK-d60b0211-1
0.375
HAN-NEW-5f56c3bc-4
0.374
DUN-NEW-f8ce3686-10
0.371
ELE-IMP-dfb36048-2
0.371
CAL-AMP-9edebd8f-1
0.371
DAR-DIA-fb20be43-11
0.355
NAU-LAT-f723e322-1
0.355
DAR-DIA-fb20be43-15
0.355
STU-CHA-bc0a9883-1
0.355
JOK-SYG-302da050-1
0.355
MAK-UNK-10dfa458-7
0.353
NAU-LAT-f723e322-2
0.352
MAK-UNK-be5ffcbc-2
0.350
JOK-SYG-b9f02a42-3
0.348
DAR-DIA-fb20be43-14
0.345
JOK-SYG-b9f02a42-1
0.345
ELE-IMP-dfb36048-5
0.341
MAT-POS-2db6411e-1
0.340
JOK-SYG-b9f02a42-2
0.339
MAK-UNK-6ca90168-13
0.337
AHN-SAT-02ef6d10-10
0.337
MAK-UNK-10dfa458-15
0.328
MAT-POS-4e253971-2
0.327
SAD-SAT-f0a2747f-6
0.327
SAD-SAT-b55127ae-10
0.326
MAK-UNK-be5ffcbc-4
0.321
SAD-SAT-1f400d17-1
0.318
TAM-UNI-c140e31a-16
0.312
ANT-OPE-d972fbad-1
0.311
MED-COV-4280ac29-21
0.310
RAM-SYN-2a37ce6c-3
0.307
PAU-WEI-b9b69149-7
0.306
SAM-UNK-903735bd-1
0.306
MAK-UNK-10dfa458-2
0.304
STU-CHA-128b80be-2
0.304
SEA-TRI-98d2cd42-1
0.302
BEN-VAN-d8fd1356-22
0.301
PAU-WEI-b9b69149-8
0.301
SAD-SAT-1f400d17-6
0.300
TAM-UNI-d1c3dd9f-20
0.300
SAD-SAT-b55127ae-4
0.298
PAU-WEI-f734c343-1
0.298
BEN-VAN-d8fd1356-21
0.297
SAD-SAT-2ceae68f-8
0.296
MAK-UNK-10dfa458-1
0.293
ANT-OPE-c0c3e7cc-1
0.292
PAU-WEI-b9b69149-9
0.291
MAR-TRE-4f781e27-23
0.290
NIR-THE-0d6461ce-2
0.289
MAK-UNK-ec98eaf6-54
0.289
MAK-UNK-ec98eaf6-55
0.287
NAU-LAT-81109c57-8
0.282
MAK-UNK-10dfa458-8
0.280
WIL-LEE-1f71e281-6
0.276
MAK-UNK-ec98eaf6-56
0.276
ORN-MSD-5b974918-1
0.276
NIR-THE-0d6461ce-3
0.276
MAK-UNK-10dfa458-14
0.274
AHN-SAT-02ef6d10-6
0.274
NIR-THE-b7e8e081-1
0.272
LON-WEI-af038623-6
0.270
MAK-UNK-ec98eaf6-8
0.270
JAN-GHE-bf40f168-9
0.269
BEN-VAN-d8fd1356-23
0.269
SAD-SAT-581007d4-8
0.268
STU-CHA-0f79177c-1
0.268
MAK-UNK-be5ffcbc-7
0.268
JOK-SYG-302da050-2
0.268
WIL-LEE-23e8b574-3
0.267
BEN-VAN-d8fd1356-24
0.267
MAK-UNK-10dfa458-13
0.267
MAK-UNK-ec98eaf6-41
0.266
BEN-VAN-d8fd1356-20
0.264
MAK-UNK-be5ffcbc-1
0.264
GAB-REV-4a4e2ff3-3
0.263
GAB-REV-4a4e2ff3-1
0.262
ANT-OPE-b90194ad-1
0.262
TAM-UNI-c140e31a-15
0.262
PET-SGC-f818f65b-1
0.262
ELE-IMP-dfb36048-1
0.262
SIM-DEM-265738e1-1
0.262
SAM-UNK-903735bd-2
0.262
NAU-LAT-81109c57-6
0.261
SAD-SAT-f0a2747f-8
0.261