Molecular Properties | |
SMILES: | N#CC1CC(F)CN1C(=O)[C@@H]1CCO[C@H]1c1cnn(Cc2ccccc2)c1 |
MW: | 368.16 |
Fraction sp3: | 0.45 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 71.15 |
cLogP: | 2.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
N-C-Hal or cyano methyl
UNK-CYC-68f84b31-2
0.646
UNK-CYC-68f84b31-19
0.333
UNK-CYC-68f84b31-57
0.321
UNK-CYC-68f84b31-82
0.311
MAR-TRE-799db12b-67
0.304
UNK-CYC-68f84b31-5
0.290
MAR-TRE-2fd8122f-12
0.289
AAR-POS-0daf6b7e-30
0.280
MAR-TRE-8190bb11-21
0.271
UNK-CYC-68f84b31-23
0.270
GIA-UNK-5ec6c2b8-3
0.264
MAK-UNK-ec98eaf6-11
0.259
MAR-TRE-92684b97-70
0.258
UNK-CYC-68f84b31-88
0.258
UNK-CYC-68f84b31-55
0.258
MAK-UNK-ec98eaf6-2
0.257
MED-COV-4280ac29-25
0.252
UNK-CYC-68f84b31-87
0.246
UNK-CYC-68f84b31-41
0.244
MAK-UNK-987948f6-9
0.243
MAK-UNK-b1d4dcd7-5
0.241
UNK-CYC-68f84b31-85
0.241
MED-COV-4280ac29-8
0.241
MAK-UNK-b1d4dcd7-4
0.237
STE-KUL-2e0d2e88-7
0.236
MAK-UNK-a7992eb3-21
0.236
MAK-UNK-10dfa458-39
0.235
UNK-CYC-68f84b31-86
0.235
MAR-TRE-66ac689e-43
0.234
DRA-CSI-47e38074-14
0.233
SAD-SAT-2fd372d1-2
0.232
MAK-UNK-a7992eb3-22
0.231
MAK-UNK-3e0761f8-8
0.231
UNK-CYC-68f84b31-28
0.231
UNK-CYC-68f84b31-11
0.231
MAK-UNK-ec98eaf6-5
0.228
MAK-UNK-9955b1f3-12
0.228
MAK-UNK-a7992eb3-2
0.227
MAK-UNK-7c9d1431-24
0.226
ERI-BAS-37e2bb46-1
0.226
DRR-IMP-38dce17f-3
0.226
MAR-TRE-799db12b-21
0.226
ARI-TAT-5792557e-19
0.225
FRA-BIO-8bf1eac9-8
0.224
SAD-SAT-1f400d17-1
0.223
MAK-UNK-ec98eaf6-58
0.222
DUN-NEW-d8381160-1
0.222
MAR-TRE-4b834d9a-28
0.222
MAK-UNK-a7992eb3-19
0.221
UNK-UNK-2ede4078-65
0.221
MAK-UNK-ec98eaf6-51
0.221
MAK-UNK-b1d4dcd7-9
0.221
IAN-BAS-647c7407-1
0.221
MAR-SOS-c7881798-9
0.220
MAR-SOS-82e3a7c7-9
0.220
UNK-CYC-68f84b31-20
0.220
MAR-TRE-3e4e6814-74
0.220
MAK-UNK-a7992eb3-23
0.220
GIA-UNK-595fac82-5
0.220
MAK-UNK-a7992eb3-18
0.220
MAK-UNK-009ebe36-8
0.219
DAN-LON-a5fc619e-10
0.218
MAR-TRE-66ac689e-34
0.218
ABI-SAT-ddc50085-1
0.218
UNK-CYC-68f84b31-13
0.218
ARI-TAT-5792557e-23
0.218
MAK-UNK-10799360-2
0.217
DRA-CSI-47e38074-2
0.217
GIA-UNK-3f36037a-5
0.216
JOH-UNI-c7afdb96-15
0.216
JAR-KUA-8c13982c-13
0.216
AAR-POS-fca48359-5
0.216
MAR-TRE-6a44bbf2-70
0.216
MAK-UNK-10799360-24
0.215
MAK-UNK-5d2caa6f-5
0.214
MAR-TRE-a3327163-30
0.214
FOC-CAS-e3a94da8-1
0.214
MAR-TRE-87acfbcc-39
0.214
MAK-UNK-df1a028e-4
0.213
UNK-CYC-68f84b31-25
0.213
MAK-UNK-849bee6c-9
0.212
MAK-UNK-5d2caa6f-22
0.212
PAU-UNI-6d15a9f5-1
0.212
UNK-CYC-68f84b31-31
0.212
MAR-TRE-d0525fbf-88
0.211
MAK-UNK-987948f6-1
0.211
ARI-TAT-5792557e-20
0.211
RIT-AID-b8bd8251-1
0.211
KEI-TRE-fa9ada3e-19
0.210
MAK-UNK-ec98eaf6-7
0.210
NIM-UNI-36e12f95-2
0.210
MAK-UNK-7c9d1431-23
0.210
MAR-TRE-6a44bbf2-28
0.210
MAK-UNK-b1d4dcd7-10
0.210
MAK-UNK-987948f6-8
0.209
AAR-UNI-c25c2f1e-49
0.209
MAR-TRE-a3327163-36
0.209
MAK-UNK-a7992eb3-24
0.208
UNK-CYC-68f84b31-3
0.208
MAT-POS-b5746674-105
0.208