Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 |
MW: | 308.403 |
Fraction sp3: | 0.4 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.32234 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2517205702 |
Hetero_hetero
AAR-POS-d2a4d1df-1
AAR-POS-d2a4d1df-36
0.644
SAD-SAT-b55127ae-5
0.476
MAT-POS-590ac91e-64
0.463
PEI-IMP-3d837503-2
0.459
MAT-POS-590ac91e-63
0.458
MAK-UNK-10dfa458-5
0.446
BEN-DND-03ad4429-3
0.446
MAK-UNK-10dfa458-6
0.444
MAK-UNK-10dfa458-18
0.444
JAG-SYN-9c2cd0bd-1
0.438
BEN-DND-03ad4429-7
0.438
MAK-UNK-10dfa458-4
0.438
SAD-SAT-3a925b8b-10
0.429
MAR-TRE-6a44bbf2-13
0.426
RHE-UNK-eb059eb9-1
0.426
AAR-POS-0daf6b7e-3
0.426
WAR-XCH-79d12f6e-6
0.426
AHN-SAT-02ef6d10-5
0.426
MAK-UNK-3f402c2b-12
0.411
AHN-SAT-02ef6d10-7
0.411
SAD-SAT-b55127ae-3
0.403
AHN-SAT-02ef6d10-3
0.385
SAD-SAT-2ceae68f-3
0.384
MAK-UNK-10dfa458-10
0.371
SAD-SAT-f0a2747f-5
0.365
SAD-SAT-2ceae68f-7
0.354
SAD-SAT-2ceae68f-5
0.353
SAD-SAT-2ceae68f-4
0.349
JAN-GHE-bf40f168-2
0.330
SAD-SAT-b55127ae-2
0.318
NAU-LAT-f723e322-5
0.318
MAR-LAB-efb042c5-5
0.314
MAR-TRE-6a44bbf2-68
0.314
AAR-POS-d2a4d1df-27
0.314
JOH-UNI-27ac80fd-26
0.313
KAT-UNK-b2a0d5b1-1
0.307
MAT-POS-b5746674-55
0.304
WAR-XCH-79d12f6e-1
0.301
WAR-XCH-b0339bbe-12
0.301
MAK-UNK-7c9d1431-8
0.301
MAR-TRE-6a44bbf2-26
0.301
NAU-LAT-f723e322-6
0.301
MED-COV-4280ac29-14
0.300
SAD-SAT-1f400d17-1
0.299
JAR-IMP-ed466bb3-15
0.297
SAD-SAT-1f400d17-6
0.294
SAD-SAT-2ceae68f-1
0.294
MAK-UNK-6ca90168-12
0.294
MAK-UNK-6ca90168-21
0.294
SEL-UNI-c5c112eb-1
0.293
NAU-LAT-f723e322-4
0.293
SAD-SAT-f0a2747f-9
0.293
NIM-UNI-05f93fcc-7
0.293
BEN-DND-7e92b6ca-8
0.293
SAD-SAT-b55127ae-10
0.292
MAK-UNK-7c9d1431-12
0.292
NIR-THE-b7e8e081-1
0.291
MAR-TRE-6a44bbf2-45
0.291
MAK-UNK-7c9d1431-30
0.291
ANT-OPE-d972fbad-1
0.290
SAD-SAT-6b5a89f0-9
0.288
MAK-UNK-6ca90168-13
0.288
AHN-SAT-02ef6d10-10
0.288
DAN-MCD-5c762fbe-1
0.288
JAN-GHE-bf40f168-1
0.287
MAR-TRE-6a44bbf2-65
0.286
MAK-UNK-7c9d1431-11
0.286
STU-CHA-128b80be-2
0.286
KEN-MCD-6084b33e-1
0.286
TAT-ENA-80bfd3e5-43
0.286
SAD-SAT-bc31ec01-9
0.286
MAK-UNK-6435e6c2-5
0.286
MAK-UNK-10dfa458-1
0.286
SAD-SAT-9a6c5cf3-7
0.284
MAK-UNK-3f402c2b-17
0.284
AAR-POS-d2a4d1df-34
0.284
DRR-IMP-dff87f5e-5
0.284
MAR-TRE-6a44bbf2-8
0.284
MAK-UNK-6435e6c2-11
0.284
MAK-UNK-4c6b313a-1
0.284
MAK-UNK-6435e6c2-10
0.284
MAK-UNK-6ca90168-16
0.283
MAK-UNK-10dfa458-7
0.282
MAK-UNK-10dfa458-2
0.282
MAK-UNK-10dfa458-9
0.280
SAD-SAT-b55127ae-1
0.280
MAK-UNK-23561bf6-1
0.279
ALE-MCD-a1893bfb-1
0.279
JAR-IMP-ed466bb3-19
0.279
SAD-SAT-2fd372d1-9
0.278
MED-COV-4280ac29-32
0.278
AHN-SAT-b1e6fbb2-1
0.278
BEN-DND-03ad4429-4
0.277
MAK-UNK-6435e6c2-1
0.275
MAK-UNK-6435e6c2-6
0.275
NIM-UNI-05f93fcc-11
0.275
AHN-SAT-de2502ba-13
0.275
MAR-TRE-6a44bbf2-83
0.275
SAD-SAT-2ceae68f-6
0.275
MAR-TRE-6a44bbf2-78
0.274