Molecular Properties | |
SMILES: | C#CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 |
MW: | 256.305 |
Fraction sp3: | 0.33 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 49.41 |
cLogP: | 1.4969 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
activated_acetylene
triple bond
Filter43_michael_acceptor_sp1
alkynyl michael acceptor2
triple_bond
MAR-TRE-6a44bbf2-86
0.625
JAG-SYN-9c2cd0bd-3
0.625
LON-WEI-120e5cf5-15
0.625
JAG-SYN-9c2cd0bd-7
0.603
JAG-SYN-9c2cd0bd-8
0.603
JAG-SYN-9c2cd0bd-9
0.579
JAG-SYN-9c2cd0bd-14
0.552
BEN-DND-031a96cc-5
0.516
BEN-DND-031a96cc-4
0.516
BEN-DND-031a96cc-3
0.493
BEN-DND-031a96cc-2
0.486
BEN-DND-031a96cc-1
0.480
LON-WEI-120e5cf5-20
0.438
AAR-POS-0daf6b7e-32
0.426
JAG-SYN-9c2cd0bd-5
0.412
LON-WEI-120e5cf5-10
0.403
LON-WEI-120e5cf5-19
0.389
LON-WEI-120e5cf5-11
0.386
AAR-POS-0daf6b7e-6
0.362
MAR-TRE-6a44bbf2-15
0.362
PEI-IMP-3d837503-4
0.359
LON-WEI-120e5cf5-4
0.355
LON-WEI-120e5cf5-16
0.352
SAD-SAT-2fd372d1-8
0.344
MAR-TRE-3e4e6814-54
0.341
AAR-POS-0daf6b7e-44
0.339
MAK-UNK-212f693e-22
0.338
LON-WEI-120e5cf5-12
0.333
MAK-UNK-3d7e3904-3
0.329
AAR-POS-5507155c-2
0.329
AAR-POS-f650c5f2-4
0.329
LON-WEI-120e5cf5-17
0.329
MAK-UNK-3d7e3904-2
0.329
LON-WEI-120e5cf5-1
0.329
MAK-UNK-5d2caa6f-20
0.329
GIA-UNK-3f36037a-2
0.328
LON-WEI-120e5cf5-2
0.325
LON-WEI-120e5cf5-14
0.325
LON-WEI-120e5cf5-3
0.324
WIL-LEE-23e8b574-6
0.323
MAR-TRE-d0525fbf-90
0.320
AHN-SAT-de2502ba-7
0.318
GIA-UNK-5ec6c2b8-5
0.318
LON-WEI-120e5cf5-9
0.318
ZAC-WAB-0847d168-1
0.314
KEI-TRE-d5e2018a-38
0.314
JOH-SUS-bab12148-1
0.311
LON-WEI-120e5cf5-6
0.308
MAK-UNK-c97f7c8f-2
0.307
DRA-CSI-13f611db-1
0.306
DRA-CSI-3ab97369-13
0.306
MAX-MCD-16e3709a-1
0.305
MAK-UNK-a7992eb3-7
0.305
AAR-UNI-c25c2f1e-75
0.304
SAD-SAT-6b5a89f0-8
0.304
DRA-CSI-7ec17797-1
0.302
MED-COV-4280ac29-17
0.300
LON-WEI-120e5cf5-21
0.299
CHR-SOS-7098f804-9
0.298
MAK-UNK-c97f7c8f-1
0.297
JAG-SYN-9c2cd0bd-6
0.297
GIA-UNK-5ec6c2b8-1
0.297
BEN-DND-031a96cc-6
0.295
JOH-UNI-522b0723-7
0.295
MAK-UNK-a7992eb3-8
0.294
JAR-IMP-ed466bb3-10
0.293
MAR-TRE-14ce9fd6-61
0.292
NAU-LAT-64f4b287-8
0.292
JAR-IMP-ed466bb3-12
0.292
DAN-MCD-a37c31cb-1
0.291
DAN-MCD-68a9aade-1
0.291
DAN-MCD-e5161b06-1
0.291
GIA-UNK-3f36037a-7
0.290
TAT-ENA-80bfd3e5-23
0.290
BEN-DND-031a96cc-7
0.287
KEI-TRE-d5e2018a-73
0.287
JAR-IMP-ed466bb3-9
0.287
JAG-SYN-9c2cd0bd-2
0.286
DRA-CSI-7ec17797-3
0.286
LON-WEI-120e5cf5-13
0.286
MAR-TRE-7f7bb9f0-26
0.286
SID-ELM-2583a2cd-5
0.284
MAR-TRE-2fd8122f-29
0.282
LON-WEI-120e5cf5-18
0.282
MAR-TRE-2fd8122f-19
0.282
MAK-UNK-a7992eb3-6
0.280
SAD-SAT-29425be4-4
0.278
JAR-IMP-ed466bb3-17
0.278
JOH-UNI-522b0723-10
0.277
SAD-SAT-29425be4-23
0.277
MAR-TRE-04c86cea-46
0.277
SAD-SAT-29425be4-29
0.276
JOH-UNI-522b0723-9
0.276
MAK-UNK-a7992eb3-5
0.276
DRA-CSI-47e38074-12
0.275
MAK-UNK-10799360-24
0.275
CLI-UNI-032f7715-2
0.274
AAR-POS-fca48359-5
0.274
JOH-UNI-522b0723-12
0.273
DRA-CSI-0a78d9ba-1
0.273