Molecular Properties | |
SMILES: | CCOC(=O)C1CC(Cc2cccc(C)c2)CCN1C(=O)CCl |
MW: | 337.847 |
Fraction sp3: | 0.56 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 46.61 |
cLogP: | 2.94662 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Carboxylic acid esters
aliphatic ester, not lactones
Ester
MAK-UNK-af83ef51-9
0.831
MAK-UNK-af83ef51-5
0.731
MAK-UNK-10dfa458-42
0.582
MAK-UNK-10dfa458-12
0.579
MAK-UNK-af83ef51-6
0.535
MAK-UNK-af83ef51-8
0.514
MAK-UNK-10dfa458-10
0.440
MAK-UNK-10dfa458-11
0.395
MAK-UNK-3f402c2b-3
0.383
AAR-POS-d2a4d1df-24
0.382
MAK-UNK-10799360-3
0.348
NIR-THE-0d6461ce-1
0.341
MAK-UNK-10799360-5
0.333
STU-CHA-0be58c98-1
0.330
SAD-SAT-c989feaa-8
0.330
MAK-UNK-10dfa458-40
0.329
MAK-UNK-3f402c2b-12
0.322
JAG-UCB-ef2c0e8e-8
0.321
JOO-PER-74f994a9-1
0.321
SAD-SAT-5b1897b2-4
0.321
MAK-UNK-10dfa458-41
0.318
MAK-UNK-ec98eaf6-32
0.318
SAD-SAT-29425be4-18
0.317
NIR-THE-0d6461ce-8
0.313
MAK-UNK-ec98eaf6-1
0.305
MAK-UNK-e4a48a85-9
0.305
MAK-UNK-3e0761f8-4
0.302
MAK-UNK-ec98eaf6-9
0.301
MIH-UNI-e573136b-7
0.300
MAK-UNK-10799360-34
0.299
GIA-UNK-7337c2f3-8
0.299
AAR-POS-d2a4d1df-36
0.298
MED-COV-4280ac29-23
0.295
MED-COV-4280ac29-4
0.293
STU-CHA-07310c75-1
0.293
MED-COV-4280ac29-7
0.292
MAK-UNK-af83ef51-11
0.289
MAK-UNK-3f402c2b-17
0.289
MAK-UNK-e4a48a85-10
0.287
NIR-THE-0d6461ce-12
0.284
SAD-SAT-29425be4-20
0.283
MAR-TRE-6a44bbf2-99
0.283
MAC-MCD-4707377b-1
0.281
NIR-THE-0d6461ce-11
0.280
MAK-UNK-3f402c2b-5
0.279
NAU-LAT-f723e322-5
0.278
MAK-UNK-3f402c2b-2
0.278
MAK-UNK-3f402c2b-7
0.277
TAT-ENA-80bfd3e5-43
0.276
MAR-TRE-6a44bbf2-65
0.276
MAK-UNK-7c9d1431-11
0.276
DAN-LON-a5fc619e-8
0.276
HAR-NEW-e34cb1ae-5
0.276
MAK-UNK-af83ef51-10
0.275
SAD-SAT-29425be4-9
0.273
MED-COV-4280ac29-13
0.273
NIR-THE-c331be7a-6
0.272
DRA-CSI-47e38074-3
0.272
NIR-THE-0d6461ce-10
0.271
MAK-UNK-ec98eaf6-42
0.271
DRR-IMP-dff87f5e-8
0.271
DAN-MCD-0742953f-1
0.270
PEI-IMP-ca0b2813-3
0.270
SEL-UNI-cd366922-9
0.269
DAN-LON-a5fc619e-10
0.269
DUN-NEW-f8ce3686-25
0.269
PEI-IMP-e4a008a2-1
0.267
RHE-UNK-eb059eb9-1
0.267
MAR-TRE-6a44bbf2-13
0.267
AAR-POS-0daf6b7e-3
0.267
WAR-XCH-79d12f6e-6
0.267
MAR-TRE-fd17a9b8-56
0.267
MAK-UNK-ec98eaf6-13
0.267
MAK-UNK-ec98eaf6-38
0.267
SAD-SAT-89668ff1-2
0.266
WAL-WAB-df110a02-2
0.266
MAR-TRE-6a44bbf2-61
0.266
AAR-POS-d2a4d1df-29
0.266
MAK-UNK-212f693e-32
0.265
MAK-UNK-6ca90168-4
0.265
MAK-UNK-df1a028e-4
0.264
DRA-CSI-47e38074-2
0.263
AHN-SAT-721e3e40-1
0.263
SIM-SYN-f15aaa3a-2
0.263
MAK-UNK-ec98eaf6-11
0.263
DAN-MCD-1c3944e2-1
0.262
MAK-UNK-3f402c2b-4
0.262
AAR-POS-d2a4d1df-23
0.262
BEN-DND-03406596-10
0.262
LON-WEI-8f408cad-4
0.262
MAR-TRE-6a44bbf2-18
0.262
MAK-UNK-3f402c2b-9
0.261
MAK-UNK-af83ef51-19
0.261
DAN-LON-a5fc619e-4
0.261
MAK-UNK-3e0761f8-5
0.260
NIR-THE-0d6461ce-4
0.260
MAK-UNK-987948f6-9
0.258
MAK-UNK-3f402c2b-1
0.258
MAK-UNK-ec98eaf6-44
0.258
MED-COV-4280ac29-2
0.258