Molecular Properties | |
SMILES: | C=CC(=O)NCc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 |
MW: | 441.17 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 86.79 |
cLogP: | 2.25 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-26588226 |
Enamine SCR: | Z786196196 |
Enamine REAL: | Z786196196 |
Mcule: | MCULE-3750736153 |
Hetero_hetero
AAR-POS-d2a4d1df-2
SAD-SAT-f0a2747f-1
0.562
AAR-POS-0daf6b7e-3
0.519
WAR-XCH-79d12f6e-6
0.519
MAR-TRE-6a44bbf2-13
0.519
RHE-UNK-eb059eb9-1
0.519
SAD-SAT-f0a2747f-8
0.440
SAD-SAT-f0a2747f-2
0.408
JAR-IMP-ed466bb3-19
0.393
JAN-GHE-4287bd1a-1
0.384
NAU-LAT-f723e322-5
0.364
SAD-SAT-2ceae68f-5
0.353
JAR-IMP-ed466bb3-15
0.351
AAR-POS-d2a4d1df-36
0.348
SAD-SAT-f0a2747f-5
0.348
SAD-SAT-9a6c5cf3-7
0.333
JUA-UNI-bc099708-2
0.327
MAK-UNK-3f402c2b-17
0.323
AAR-POS-d2a4d1df-25
0.321
AHN-SAT-de2502ba-8
0.321
MAT-POS-b5746674-51
0.311
NIM-UNI-05f93fcc-7
0.303
SAD-SAT-2ceae68f-9
0.302
SAD-SAT-2ceae68f-6
0.299
SAD-SAT-b55127ae-3
0.297
VIJ-CYC-1a381570-10
0.295
SEL-UNI-c5c112eb-1
0.291
BEN-DND-7e92b6ca-8
0.290
AHN-SAT-de2502ba-13
0.289
MAR-TRE-6a44bbf2-83
0.289
AHN-SAT-02ef6d10-8
0.288
MAT-POS-590ac91e-64
0.288
KAT-UNK-b2a0d5b1-1
0.287
JUA-UNI-bc099708-4
0.286
MAT-POS-590ac91e-63
0.286
MAR-LAB-efb042c5-5
0.278
AAR-POS-d2a4d1df-27
0.278
MAR-TRE-6a44bbf2-68
0.278
NIM-UNI-05f93fcc-11
0.276
SAD-SAT-b55127ae-5
0.275
MAK-UNK-10dfa458-5
0.272
BEN-DND-03ad4429-3
0.272
JOH-UNI-e19b918c-4
0.272
MAR-TRE-6a44bbf2-65
0.271
TAT-ENA-80bfd3e5-43
0.271
MAK-UNK-7c9d1431-11
0.271
MAR-TRE-6a44bbf2-8
0.269
DRR-IMP-dff87f5e-5
0.269
MAK-UNK-7c9d1431-8
0.269
MAR-TRE-6a44bbf2-26
0.269
AAR-POS-d2a4d1df-34
0.269
MAR-TRE-92684b97-11
0.268
MAK-UNK-987948f6-3
0.267
ASH-SAT-43770c7d-10
0.267
MAK-UNK-10dfa458-6
0.267
MAK-UNK-10dfa458-18
0.267
DRR-IMP-db50bf6e-3
0.264
MAK-UNK-10dfa458-4
0.264
JUA-UNI-a9dfaed1-3
0.264
JAG-SYN-9c2cd0bd-1
0.264
BEN-DND-03ad4429-7
0.264
MAR-TRE-6a44bbf2-45
0.263
MAK-UNK-7c9d1431-30
0.263
TAT-ENA-80bfd3e5-2
0.262
SAD-SAT-2ceae68f-4
0.262
DRR-IMP-db50bf6e-1
0.261
MAK-UNK-7c9d1431-12
0.261
MAR-TRE-6a44bbf2-78
0.261
MAK-UNK-7c9d1431-13
0.261
NIM-UNI-05f93fcc-1
0.261
MAR-TRE-4f781e27-99
0.260
MAR-TRE-3159af1a-19
0.259
DAV-IMP-59dd6621-24
0.259
PEI-IMP-3d837503-2
0.258
SAD-SAT-2fd372d1-2
0.258
MAR-TRE-8190bb11-24
0.258
MAR-TRE-6a44bbf2-7
0.258
AAR-POS-d2a4d1df-37
0.258
BEN-DND-03406596-6
0.257
NIM-UNI-310206f0-69
0.257
BEN-DND-76ad4ac9-10
0.257
NAU-LAT-c9bfe74c-4
0.257
DRR-IMP-db50bf6e-4
0.255
MAK-UNK-10dfa458-10
0.253
NIM-UNI-310206f0-67
0.252
SAD-SAT-2ceae68f-7
0.252
MAR-TRE-3159af1a-35
0.252
KRI-MAR-d2e3ef86-4
0.252
MAT-POS-916a2c5a-3
0.252
AHN-SAT-02ef6d10-5
0.250
SAD-SAT-b55127ae-2
0.250
WAR-XCH-79d12f6e-11
0.250
MAT-POS-590ac91e-66
0.250
MAR-TRE-6a44bbf2-31
0.250
AAR-POS-0daf6b7e-15
0.250
MAK-UNK-7c9d1431-5
0.250
NIM-UNI-310206f0-70
0.250
MAR-TRE-799db12b-9
0.248
MAK-UNK-7264f48c-1
0.248
YOI-UNK-090ea88a-1
0.248
NIM-UNI-05f93fcc-6
0.248