Molecular Properties | |
SMILES: | O=C([C@H]1C2CC([C@@H]1CCc1ccccc1)N(C(=O)CCl)C2)N1CCCCC1 |
MW: | 388.19 |
Fraction sp3: | 0.64 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 40.62 |
cLogP: | 3.33 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
PAU-WEI-c6d65c11-1
0.449
MAK-UNK-3f402c2b-20
0.361
MAK-UNK-10799360-2
0.337
MAK-UNK-ec98eaf6-48
0.323
MAK-UNK-af83ef51-2
0.322
MAK-UNK-df1a028e-7
0.319
AAR-POS-0daf6b7e-9
0.316
VIR-GIT-7b3d3065-2
0.316
MAK-UNK-df1a028e-4
0.312
MAK-UNK-5d2caa6f-20
0.308
MAK-UNK-ec98eaf6-2
0.304
MAK-UNK-10dfa458-39
0.300
MAK-UNK-750cfbcc-5
0.300
DAN-MCD-9950a804-1
0.299
DAN-MCD-1a622181-1
0.299
MAK-UNK-15efde89-1
0.299
MAR-TRE-6a44bbf2-9
0.297
MAK-UNK-3f402c2b-18
0.297
BEN-DND-03406596-1
0.293
BEN-DND-76ad4ac9-9
0.293
MAK-UNK-3e0761f8-8
0.293
AHN-SAT-de2502ba-1
0.290
MAR-TRE-6a44bbf2-28
0.287
MAK-UNK-7c9d1431-23
0.287
SAD-SAT-c989feaa-4
0.287
MAK-UNK-5d2caa6f-12
0.284
MAK-UNK-ec98eaf6-11
0.282
LON-WEI-b8d98729-5
0.281
DAV-UNI-bdcebb58-2
0.281
DRR-IMP-38dce17f-3
0.280
MAK-UNK-7c9d1431-24
0.280
MAK-UNK-5d2caa6f-21
0.278
MAK-UNK-ec98eaf6-45
0.277
MAK-UNK-ec98eaf6-49
0.276
MAK-UNK-5d2caa6f-22
0.276
MED-COV-4280ac29-8
0.276
MAK-UNK-5d2caa6f-4
0.276
DUN-NEW-f8ce3686-25
0.276
DAN-MCD-34fd4f29-1
0.275
MAK-UNK-750cfbcc-3
0.275
MAR-TRE-6a44bbf2-79
0.275
MAK-UNK-3f402c2b-19
0.274
STE-KUL-2e0d2e88-6
0.274
MAK-UNK-3f402c2b-8
0.273
PAU-WEI-b9b69149-1
0.270
GIA-UNK-20b63697-6
0.269
AHN-SAT-de2502ba-11
0.268
MAK-UNK-ec98eaf6-5
0.267
MAR-LAB-efb042c5-6
0.264
MAK-UNK-69bf97dd-1
0.264
SAD-SAT-d8079f6f-3
0.264
AAR-POS-fca48359-5
0.264
THO-SYG-4e0386bb-1
0.263
TIM-UNK-6bd61028-1
0.263
MED-COV-4280ac29-25
0.263
DAN-LON-a5fc619e-10
0.263
GIA-UNK-30c7cb75-1
0.261
MAK-UNK-ec98eaf6-51
0.261
GIA-UNK-30c7cb75-4
0.261
MAK-UNK-ec98eaf6-54
0.260
MAK-UNK-10799360-3
0.260
MAK-UNK-df1a028e-5
0.258
STE-KUL-2e0d2e88-4
0.257
DAN-LON-a5fc619e-5
0.257
SAD-SAT-9a6c5cf3-9
0.257
DAN-MCD-9b81d1fa-1
0.257
DAN-MCD-b3a5626f-1
0.257
ANT-DIA-b7f58f21-4
0.256
JAR-IMP-ed466bb3-20
0.256
MAR-TRE-6a44bbf2-86
0.256
LON-WEI-120e5cf5-15
0.256
MAK-UNK-3f402c2b-7
0.256
MAK-UNK-ec98eaf6-32
0.255
MAK-UNK-5d2caa6f-8
0.255
PAU-WEI-b9b69149-4
0.255
DAV-CRI-b7083e67-1
0.254
MAK-UNK-5d2caa6f-9
0.254
MAR-TRE-6a44bbf2-21
0.253
MAK-UNK-7c9d1431-9
0.253
AHN-SAT-de2502ba-7
0.253
MAK-UNK-7c9d1431-27
0.253
MAR-TRE-0fda4e82-52
0.253
MAK-UNK-ec98eaf6-44
0.253
MAK-UNK-5d2caa6f-1
0.253
SIM-SYN-7db9eb24-1
0.252
BAR-COM-4e090d3a-56
0.252
MAT-POS-ea426761-61
0.252
MAK-UNK-31051d4e-6
0.252
MAK-UNK-10dfa458-9
0.250
RED-RED-10c9212c-19
0.250
MAK-UNK-6ca90168-11
0.250
MAK-UNK-5d2caa6f-16
0.250
MAK-UNK-df1a028e-9
0.250
DAR-DIA-03336633-9
0.250
MAK-UNK-ec98eaf6-7
0.250
BEN-DND-362d364a-1
0.250
MAK-UNK-10799360-13
0.248
MAK-UNK-5d2caa6f-11
0.248
NAU-LAT-f723e322-5
0.248
SAD-SAT-f2e2579e-6
0.248