Molecular Properties | |
SMILES: | C=CC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)CC1 |
MW: | 425.14 |
Fraction sp3: | 0.58 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 78.0 |
cLogP: | 1.62 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-26601266 |
Enamine SCR: | Z3664804669 |
Enamine REAL: | Z3664804669 |
Mcule: | MCULE-3806439954 |
Hetero_hetero
AAR-POS-d2a4d1df-41
SAD-SAT-2ceae68f-4
0.550
SAD-SAT-b55127ae-7
0.422
SAD-SAT-9a6c5cf3-7
0.420
SAD-SAT-b55127ae-9
0.409
SAD-SAT-9a6c5cf3-10
0.407
JAN-GHE-4287bd1a-1
0.403
SAD-SAT-f2e2579e-6
0.393
SAD-SAT-f2e2579e-3
0.384
SAD-SAT-9a6c5cf3-2
0.378
SAD-SAT-9a6c5cf3-4
0.374
SAD-SAT-f2e2579e-4
0.374
SAD-SAT-f2e2579e-9
0.366
SAD-SAT-f2e2579e-10
0.360
SAD-SAT-f2e2579e-5
0.356
SAD-SAT-f2e2579e-8
0.355
SAD-SAT-1f400d17-9
0.352
SAD-SAT-9a6c5cf3-5
0.348
SAD-SAT-b55127ae-5
0.346
MAK-UNK-10dfa458-18
0.338
MAK-UNK-10dfa458-6
0.338
SAD-SAT-9a6c5cf3-6
0.337
MAK-UNK-10dfa458-4
0.333
BEN-DND-03ad4429-7
0.333
SAD-SAT-9a6c5cf3-9
0.330
AHN-SAT-02ef6d10-5
0.329
PEI-IMP-3d837503-2
0.329
SAD-SAT-f2e2579e-2
0.327
MAR-TRE-3159af1a-61
0.326
JAG-SYN-9c2cd0bd-3
0.325
MAK-UNK-10dfa458-5
0.325
BEN-DND-03ad4429-3
0.325
SAD-SAT-3a925b8b-10
0.325
SAD-SAT-f2e2579e-7
0.323
SAD-SAT-f2e2579e-1
0.317
MAK-UNK-10dfa458-10
0.317
JAG-SYN-9c2cd0bd-1
0.316
SAD-SAT-1f400d17-4
0.309
SAD-SAT-2ceae68f-7
0.309
SAD-SAT-b55127ae-6
0.302
AHN-SAT-02ef6d10-7
0.300
MAR-TRE-6a44bbf2-13
0.298
AAR-POS-0daf6b7e-3
0.298
WAR-XCH-79d12f6e-6
0.298
RHE-UNK-eb059eb9-1
0.298
SAD-SAT-2ceae68f-3
0.297
MAR-TRE-3159af1a-32
0.294
MAK-UNK-212f693e-24
0.287
SAD-SAT-2ceae68f-5
0.283
GIA-UNK-eaadd1d4-3
0.279
STU-CHA-83dacf15-2
0.276
SAD-SAT-9a6c5cf3-1
0.274
AAR-POS-fca48359-5
0.271
AHN-SAT-02ef6d10-4
0.270
BRU-LEF-cf996d6c-1
0.269
JAN-GHE-bf40f168-2
0.269
AAR-POS-d2a4d1df-36
0.267
MAK-UNK-750cfbcc-3
0.267
MAR-TRE-6a44bbf2-79
0.267
JAR-IMP-ed466bb3-15
0.265
SAD-SAT-b55127ae-10
0.265
DRV-UNK-64047f27-2
0.265
DRV-UNK-dd7f8c68-2
0.265
JAR-IMP-ed466bb3-20
0.263
MAR-TRE-3e4e6814-92
0.263
VIR-GIT-7b3d3065-2
0.260
AAR-POS-0daf6b7e-9
0.260
MAK-UNK-750cfbcc-5
0.260
AHN-SAT-02ef6d10-3
0.259
AHN-SAT-b1e6fbb2-1
0.257
SAD-SAT-f0a2747f-5
0.256
JON-CHE-41f76505-1
0.255
SAD-SAT-6b5a89f0-9
0.254
AHN-SAT-02ef6d10-6
0.253
SAD-SAT-b55127ae-2
0.253
NIM-UNI-310206f0-70
0.253
JOH-UNI-27ac80fd-26
0.250
MAK-UNK-7c9d1431-12
0.250
MAR-TRE-dab8f6ea-40
0.247
JAN-GHE-bf40f168-1
0.246
GIA-UNK-eaadd1d4-1
0.244
DRR-IMP-dff87f5e-5
0.244
AAR-POS-d2a4d1df-34
0.244
MAR-TRE-6a44bbf2-8
0.244
SAD-SAT-bc31ec01-9
0.244
DRR-IMP-dff87f5e-4
0.244
NIM-UNI-05f93fcc-7
0.242
MAR-TRE-67513f76-65
0.242
MAK-UNK-10dfa458-9
0.241
JAG-SYN-9c2cd0bd-12
0.241
MAK-UNK-10dfa458-2
0.241
KEN-MCD-4729dc98-1
0.241
MAK-UNK-6435e6c2-10
0.241
MAK-UNK-4c6b313a-1
0.241
MAK-UNK-6435e6c2-11
0.241
AAR-POS-fca48359-4
0.240
NAU-LAT-f723e322-5
0.240
MAR-TRE-fd17a9b8-64
0.240
MAK-UNK-7c9d1431-30
0.239
MAR-TRE-6a44bbf2-45
0.239
GIA-UNK-30c7cb75-1
0.238