Molecular Properties | |
SMILES: | C#CCNC(=O)c1ccc2c(c1)CCCN2C(=O)C=C |
MW: | 268.316 |
Fraction sp3: | 0.25 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 49.41 |
cLogP: | 1.5148 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z3756456025 |
triple bond
triple_bond
AAR-POS-d2a4d1df-1
DAV-IMP-59dd6621-27
0.645
DAV-IMP-59dd6621-9
0.635
DAV-IMP-59dd6621-22
0.600
DAV-IMP-59dd6621-30
0.588
DAV-IMP-59dd6621-26
0.397
MAT-POS-b5746674-112
0.389
DAV-IMP-59dd6621-24
0.340
MAR-TRE-6a44bbf2-22
0.303
MAK-UNK-7c9d1431-26
0.303
MAR-TRE-6a44bbf2-46
0.299
DAV-IMP-59dd6621-25
0.282
DAV-IMP-59dd6621-28
0.280
MIC-IOC-304754b1-2
0.276
MAT-POS-ee51dedd-3
0.257
MAK-UNK-10dfa458-3
0.253
DAV-IMP-59dd6621-14
0.250
AAR-UNI-c25c2f1e-95
0.250
MAR-TRE-0fda4e82-74
0.250
AHN-SAT-de2502ba-11
0.247
MAK-UNK-c8c8f7e2-17
0.247
SAD-SAT-5b1897b2-7
0.247
MAR-TRE-6a44bbf2-33
0.247
TAM-UNI-c140e31a-12
0.245
AAR-UNI-c25c2f1e-93
0.240
MAR-LAB-ca4662a6-5
0.239
MAK-UNK-7a704a63-9
0.239
RAV-REL-e0cd5b56-3
0.231
TAM-UNI-c140e31a-14
0.231
MAK-UNK-c8c8f7e2-18
0.231
MAK-UNK-1e8f9e3c-5
0.230
PET-SGC-616b7348-1
0.228
MAK-UNK-10dfa458-13
0.227
TOB-UNK-c2aba166-2
0.227
MED-COV-4280ac29-14
0.226
MAK-UNK-7a704a63-22
0.225
MAK-UNK-10dfa458-22
0.225
MAR-TRE-8190bb11-90
0.224
MAK-UNK-6435e6c2-4
0.224
TAM-UNI-c140e31a-18
0.223
JAN-GHE-86445305-3
0.223
MAK-UNK-1e8f9e3c-2
0.221
MAR-TRE-b77b7921-81
0.219
MAK-UNK-10dfa458-25
0.219
SAD-SAT-2ceae68f-6
0.219
TAM-UNI-c140e31a-6
0.219
NAU-LAT-42d4957e-3
0.219
MAR-TRE-66ac689e-21
0.219
MAK-UNK-c8c8f7e2-3
0.218
MAK-UNK-7a704a63-16
0.218
MAK-UNK-c8c8f7e2-39
0.218
MAK-UNK-1e8f9e3c-3
0.218
MAR-TRE-8190bb11-51
0.217
MAR-TRE-66ac689e-29
0.216
COM-UCB-1ef4e90e-6
0.216
AAR-UNI-c25c2f1e-27
0.216
MAK-UNK-1e8f9e3c-1
0.216
RAV-REL-e0cd5b56-1
0.216
MAK-UNK-9159f8ed-6
0.216
MAT-POS-162a9720-11
0.215
AHN-SAT-02ef6d10-3
0.214
MAR-TRE-3724962b-8
0.214
MAR-TRE-fffca54f-9
0.214
MAK-UNK-c8c8f7e2-16
0.213
MAK-UNK-10dfa458-10
0.213
NAU-LAT-42d4957e-2
0.213
MAK-UNK-53da93bf-3
0.213
SAD-SAT-1f400d17-2
0.212
MAK-UNK-7a704a63-10
0.211
LON-WEI-8f408cad-1
0.211
AAR-POS-0daf6b7e-11
0.211
AAR-UNI-c25c2f1e-103
0.211
MAK-UNK-10dfa458-36
0.211
MAR-TRE-0fda4e82-4
0.210
JOH-UNI-c7afdb96-7
0.209
MAK-UNK-c8c8f7e2-6
0.209
MAR-TRE-799db12b-69
0.208
MAR-TRE-799db12b-11
0.208
MAK-UNK-7a704a63-5
0.207
MAK-UNK-c8c8f7e2-20
0.207
JOH-UNI-e19b918c-13
0.207
MAK-UNK-c8c8f7e2-15
0.207
SAD-SAT-b55127ae-5
0.207
MAK-UNK-c8c8f7e2-10
0.207
MAK-UNK-7a704a63-8
0.207
MAK-UNK-c8c8f7e2-30
0.207
MAK-UNK-7a704a63-19
0.207
MAK-UNK-c8c8f7e2-36
0.207
AHN-SAT-02ef6d10-1
0.206
SAD-SAT-1f400d17-4
0.206
DAN-RED-da448e80-3
0.206
TAM-UNI-c140e31a-4
0.205
PET-SGC-59809fea-1
0.205
MAK-UNK-c8c8f7e2-4
0.205
JAG-SYN-9c2cd0bd-3
0.205
DAV-IMP-59dd6621-8
0.205
JON-UNI-4b544d07-6
0.205
ANT-OPE-997bdc93-1
0.204
JOH-UNI-c7afdb96-6
0.204
MAR-TRE-9d18ae8c-65
0.204
MAR-TRE-799db12b-49
0.204