Molecular Properties | |
SMILES: | C=CC(=O)N1N=C(c2cccs2)CC1c1ccc(OC)c(OC)c1 |
MW: | 342.1 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 51.13 |
cLogP: | 3.63 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
JOH-MR_-42fa5481-5
0.707
JOH-MR_-42fa5481-4
0.692
MAT-POS-916a2c5a-1
0.684
NIM-UNI-13494739-3
0.658
JOH-MR_-42fa5481-6
0.609
JOH-MR_-42fa5481-1
0.600
MAR-LAB-ff9967db-37
0.565
JOH-MR_-42fa5481-2
0.562
TAT-ENA-80bfd3e5-9
0.545
NIM-UNI-13494739-4
0.545
NIM-UNI-13494739-1
0.527
JOH-MR_-42fa5481-10
0.494
JOH-MR_-42fa5481-3
0.466
MED-COV-4280ac29-30
0.465
JOH-MR_-42fa5481-14
0.443
JOH-MR_-42fa5481-9
0.433
JOH-MR_-42fa5481-12
0.413
JOH-MR_-42fa5481-11
0.413
JOH-MR_-42fa5481-13
0.409
MAR-LAB-ff9967db-36
0.400
MAR-LAB-efb042c5-4
0.398
JON-UNI-93996c9d-12
0.396
JON-UNI-93996c9d-4
0.385
JON-UNI-93996c9d-6
0.381
NIM-UNI-13494739-9
0.378
MAR-LAB-efb042c5-3
0.372
JON-UNI-93996c9d-7
0.350
NIM-UNI-13494739-10
0.333
JOH-MR_-42fa5481-8
0.299
UNK-UNK-2ede4078-84
0.290
UNK-UNK-2ede4078-68
0.280
MAR-TRE-e86a56b5-1
0.277
NIM-UNI-13494739-8
0.274
MAR-TRE-4b834d9a-98
0.267
JAR-KUA-8c13982c-19
0.266
DAR-DIA-8b715a25-6
0.264
UNK-UNK-2ede4078-58
0.264
NIM-UNI-13494739-6
0.263
JON-UNI-93996c9d-11
0.258
JAR-KUA-8c13982c-11
0.257
UNK-UNK-2ede4078-67
0.255
MAK-UNK-6ca90168-21
0.253
NIM-UNI-13494739-7
0.252
TAT-ENA-80bfd3e5-17
0.252
MAR-TRE-e86a56b5-7
0.252
MAR-TRE-4b834d9a-58
0.252
MAR-TRE-74c6519b-46
0.250
MAT-POS-b5746674-93
0.250
MAR-TRE-4b834d9a-68
0.248
MAT-POS-b5746674-89
0.248
MAT-POS-b5746674-96
0.245
MAK-UNK-10dfa458-2
0.244
MAT-POS-b5746674-79
0.243
MAR-TRE-2fd8122f-74
0.243
MAR-LAB-efb042c5-1
0.242
MAK-UNK-10dfa458-4
0.241
MAR-TRE-e86a56b5-91
0.241
BEN-DND-03ad4429-7
0.241
DAR-DIA-8b715a25-2
0.241
MAR-TRE-d0525fbf-24
0.239
MAR-TRE-36bf7dba-44
0.237
SAD-SAT-f0a2747f-10
0.231
MAR-TRE-3e4e6814-24
0.231
DAR-DIA-8b715a25-4
0.229
ARI-TAT-5792557e-10
0.229
MAR-TRE-74c6519b-45
0.228
NIM-UNI-13494739-5
0.225
DAV-IMP-59dd6621-25
0.224
MAR-TRE-aca67d11-4
0.223
MAR-TRE-d0525fbf-70
0.222
MAT-POS-b5746674-92
0.219
JON-UNI-93996c9d-9
0.218
MAR-TRE-74c6519b-82
0.218
MAK-UNK-10dfa458-9
0.217
MAR-TRE-e86a56b5-13
0.216
JON-UNI-93996c9d-1
0.215
NAU-LAT-f723e322-4
0.215
MAK-UNK-7a704a63-22
0.215
MAT-POS-b5746674-88
0.215
MAR-TRE-0fda4e82-82
0.214
MAR-TRE-e86a56b5-33
0.214
DAR-DIA-1a77c53a-7
0.214
MAR-TRE-b77b7921-48
0.214
NIM-UNI-13494739-11
0.214
TAT-ENA-80bfd3e5-5
0.214
TAT-ENA-80bfd3e5-15
0.213
MAT-POS-fa06b69f-7
0.213
TAT-ENA-80bfd3e5-45
0.213
SAD-SAT-1f400d17-8
0.213
MAR-TRE-e86a56b5-17
0.212
PAF-PIO-d312ccf6-4
0.212
MAT-POS-b5746674-95
0.211
MAK-UNK-7c9d1431-19
0.211
DOU-UNK-b5326f8f-9
0.211
MAT-POS-b5746674-94
0.210
LOR-NOR-30067bb9-7
0.210
MAR-TRE-fd17a9b8-34
0.210
MED-UNK-28939ac5-11
0.209
MAK-UNK-c8c8f7e2-43
0.209
MAR-TRE-3159af1a-88
0.209