Molecular Properties | |
SMILES: | C=CC(=O)N1CCC(Cc2cccc(C)c2)CC1C(=O)OC |
MW: | 301.17 |
Fraction sp3: | 0.44 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 46.61 |
cLogP: | 2.5 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Ester
LON-WEI-8f408cad-3
MAK-UNK-af83ef51-9
0.676
MAK-UNK-af83ef51-7
0.579
MAK-UNK-10dfa458-10
0.565
MAK-UNK-10dfa458-11
0.527
MAK-UNK-af83ef51-5
0.526
MAK-UNK-10dfa458-42
0.471
MAK-UNK-af83ef51-6
0.453
MAK-UNK-af83ef51-8
0.418
JAG-UCB-ef2c0e8e-8
0.337
JOO-PER-74f994a9-1
0.321
DRA-CSI-47e38074-3
0.321
MAK-UNK-af83ef51-10
0.318
AHN-SAT-02ef6d10-3
0.308
MAK-UNK-e4a48a85-9
0.305
MAK-UNK-3f402c2b-3
0.302
AAR-POS-d2a4d1df-24
0.296
MAK-UNK-e4a48a85-10
0.287
DRA-CSI-47e38074-4
0.286
NIR-THE-0d6461ce-1
0.279
MAK-UNK-10799360-3
0.278
AGN-NEW-c7b24fe3-2
0.278
MAK-UNK-af83ef51-11
0.274
STU-CHA-0be58c98-1
0.274
JAN-GHE-4287bd1a-1
0.271
MAK-UNK-10dfa458-14
0.270
MAK-UNK-10dfa458-40
0.270
SAD-SAT-1f400d17-4
0.268
SAD-SAT-29425be4-18
0.267
MAK-UNK-10799360-5
0.265
MAK-UNK-e4a48a85-11
0.264
DRA-CSI-47e38074-2
0.263
MAK-UNK-e4a48a85-17
0.261
MAK-UNK-ec98eaf6-32
0.261
SAD-SAT-c989feaa-8
0.260
DRA-CSI-47e38074-6
0.258
AHN-SAT-02ef6d10-9
0.256
DRA-CSI-47e38074-12
0.256
SAD-SAT-b55127ae-1
0.256
MAK-UNK-10dfa458-9
0.256
DRA-CSI-47e38074-15
0.255
MAT-POS-b5746674-70
0.255
WAR-XCH-b72a1bbc-45
0.253
LOR-NOR-30067bb9-2
0.253
SAD-SAT-c989feaa-7
0.250
DAV-IMP-59dd6621-25
0.250
RAF-POL-b61b4b25-9
0.250
MAK-UNK-10dfa458-7
0.247
MAK-UNK-10dfa458-41
0.247
AHN-SAT-02ef6d10-10
0.247
BEN-DND-03ad4429-3
0.247
MAK-UNK-10dfa458-5
0.247
MAK-UNK-6ca90168-13
0.247
DRA-CSI-47e38074-13
0.244
DRA-CSI-47e38074-5
0.244
MAR-TRE-3e4e6814-51
0.243
WAR-XCH-b6889685-16
0.242
GIA-UNK-7337c2f3-8
0.242
SAD-SAT-f0a2747f-10
0.241
SAD-SAT-5b1897b2-4
0.241
MAK-UNK-ec98eaf6-1
0.240
DAV-IMP-59dd6621-2
0.240
MED-COV-4280ac29-4
0.240
AGN-NEW-c7b24fe3-3
0.239
AGN-NEW-c7b24fe3-6
0.239
NIR-THE-0d6461ce-8
0.239
NAU-LAT-f723e322-4
0.239
MAK-UNK-10dfa458-4
0.238
BEN-DND-03ad4429-7
0.238
MAK-UNK-e4a48a85-16
0.238
DAV-UNI-bdcebb58-1
0.238
STU-CHA-83dacf15-2
0.238
AAR-POS-fca48359-3
0.238
MAK-UNK-3e0761f8-4
0.238
SAD-SAT-1f400d17-1
0.237
SAD-SAT-c989feaa-6
0.237
MAR-TRE-3e4e6814-94
0.237
MAR-TRE-fd17a9b8-52
0.237
RED-RED-10c9212c-24
0.237
DRA-CSI-47e38074-10
0.236
MAR-TRE-b77b7921-99
0.236
AGN-NEW-5f02c22c-1
0.236
MAK-UNK-10799360-34
0.235
DAV-IMP-59dd6621-28
0.235
MAK-UNK-ec98eaf6-9
0.235
MAK-UNK-6ca90168-12
0.235
DRA-CSI-47e38074-14
0.233
KAT-FAI-9b65c29e-1
0.233
MAK-UNK-3f402c2b-7
0.233
GIA-UNK-595fac82-5
0.233
JAG-SYN-9c2cd0bd-3
0.233
PEI-IMP-3d837503-2
0.232
MIH-UNI-e573136b-7
0.232
JON-UNI-bb9dc649-20
0.231
MAK-UNK-af83ef51-12
0.231
AAR-UNI-c25c2f1e-89
0.231
DAV-IMP-59dd6621-22
0.231
MAR-TRE-fd17a9b8-56
0.231
MAR-TRE-dab8f6ea-9
0.229
SAD-SAT-29425be4-20
0.229
SAD-SAT-b55127ae-7
0.229