Molecular Properties | |
SMILES: | C=CC(=O)N1CCC(c2nc3ccccc3s2)CC1 |
MW: | 272.1 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 33.2 |
cLogP: | 3.19 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-16157620 |
Enamine SCR: | Z440634634 |
Enamine REAL: | Z440634634 |
Enamine Extended REAL: | m_273270____12942206____10884640 |
Mcule: | MCULE-8261011875 |
MolPort: | MolPort-012-145-182 |
MAK-UNK-7c9d1431-25
0.656
MAR-TRE-6a44bbf2-53
0.656
JOO-IND-b13e14cc-1
0.642
SAD-SAT-f0a2747f-2
0.568
AHN-SAT-02ef6d10-1
0.528
JOO-IND-b13e14cc-3
0.527
WAR-XCH-b72a1bbc-8
0.514
TAT-ENA-80bfd3e5-13
0.486
AAR-POS-d2a4d1df-30
0.486
JOO-IND-b13e14cc-2
0.474
JOO-IND-68bcc4bc-1
0.411
MAK-UNK-212f693e-24
0.391
JAR-IMP-ed466bb3-15
0.388
MAK-UNK-3f402c2b-8
0.349
IND-SYN-6c8299e8-3
0.341
JAG-SYN-9c2cd0bd-3
0.338
RAM-SYN-2a37ce6c-7
0.337
RAM-SYN-2a37ce6c-6
0.330
MAK-UNK-6ca90168-12
0.329
SAD-SAT-f0a2747f-6
0.325
MAK-UNK-10dfa458-10
0.312
JOH-UNI-27ac80fd-26
0.310
AHN-SAT-324b361c-1
0.306
SAD-SAT-1f400d17-1
0.296
SAD-SAT-f0a2747f-10
0.295
MAK-UNK-6ca90168-21
0.292
MAT-POS-ea426761-92
0.291
SAD-SAT-b55127ae-7
0.291
MAR-TRE-fd17a9b8-54
0.290
MAK-UNK-212f693e-27
0.289
DAV-IMP-59dd6621-23
0.289
MAK-UNK-212f693e-25
0.289
SAD-SAT-1f400d17-4
0.289
WAR-XCH-72a8c209-10
0.289
PEI-IMP-3d837503-2
0.288
SAD-SAT-2ceae68f-4
0.286
MAK-UNK-10dfa458-8
0.284
AHN-SAT-02ef6d10-3
0.284
SAD-SAT-b55127ae-6
0.283
MAR-TRE-6a44bbf2-64
0.282
MAK-UNK-10dfa458-2
0.280
MAK-UNK-10dfa458-9
0.278
JOH-UNI-27ac80fd-34
0.278
ANT-OPE-3756b28b-1
0.277
MAK-UNK-10dfa458-4
0.276
AHN-SAT-02ef6d10-6
0.276
BEN-DND-03ad4429-7
0.276
MAK-UNK-6ca90168-2
0.275
SAD-SAT-1f400d17-9
0.275
MAK-UNK-212f693e-23
0.274
MAR-TRE-1c920f6f-99
0.274
SAD-SAT-b55127ae-4
0.273
SAD-SAT-b55127ae-10
0.273
MAK-UNK-212f693e-29
0.273
MAK-UNK-212f693e-2
0.270
MAK-UNK-212f693e-21
0.270
SAD-SAT-b55127ae-3
0.270
MAK-UNK-212f693e-22
0.269
MAK-UNK-212f693e-28
0.269
STU-CHA-83dacf15-2
0.269
AAR-UNI-c25c2f1e-69
0.269
JOO-IND-6372a4f3-4
0.268
VLA-UNK-c3e99b7a-5
0.267
MAK-UNK-10dfa458-1
0.267
ANT-OPE-c0c3e7cc-1
0.266
MAK-UNK-10dfa458-18
0.263
MED-COV-4280ac29-14
0.263
SAD-SAT-6b5a89f0-9
0.263
AAR-UNI-c25c2f1e-86
0.263
AAR-UNI-c25c2f1e-76
0.261
WAR-XCH-b6889685-50
0.260
MAK-UNK-212f693e-18
0.260
JAG-SYN-9c2cd0bd-1
0.260
SAD-SAT-b55127ae-9
0.258
WIL-UNI-2a57d06c-21
0.258
DAV-IMP-59dd6621-2
0.258
SAD-SAT-1f400d17-6
0.257
MAK-UNK-212f693e-31
0.256
MAK-UNK-212f693e-30
0.256
AHN-SAT-02ef6d10-7
0.254
ANT-OPE-d972fbad-1
0.253
MAK-UNK-10dfa458-5
0.253
BEN-DND-03ad4429-3
0.253
MAK-UNK-212f693e-10
0.253
AHN-SAT-02ef6d10-10
0.253
MAK-UNK-6ca90168-13
0.253
MAK-UNK-10dfa458-7
0.253
MAT-POS-ea426761-82
0.250
SAD-SAT-3a925b8b-10
0.250
LON-WEI-ff7b210a-8
0.250
MAT-POS-4e253971-2
0.250
MAR-TRE-a3327163-16
0.250
AAR-UNI-c25c2f1e-20
0.250
MAR-LAB-ff9967db-1
0.248
RED-RED-10c9212c-19
0.247
MAR-TRE-8190bb11-35
0.247
MED-COV-4280ac29-32
0.247
SAD-SAT-b55127ae-1
0.247
MAK-UNK-10dfa458-6
0.247
JAR-IMP-ed466bb3-10
0.245