Molecular Properties | |
SMILES: | O=C(c1ccccc1C(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1 |
MW: | 368.09 |
Fraction sp3: | 0.28 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 23.55 |
cLogP: | 4.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-26 |
high halogen content (>3)
UNK-UNK-2ede4078-93
0.521
MAT-POS-54c4bf04-3
0.494
SAD-SAT-65574d3f-9
0.485
ERI-UCB-a0b0dbcb-2
0.481
MAT-POS-8fd29122-2
0.479
PET-UNK-82544c07-1
0.461
MAT-POS-450cb4f9-2
0.458
MAT-POS-3b536971-2
0.437
UNK-UNK-2ede4078-24
0.402
MAT-POS-450cb4f9-1
0.402
ERI-UCB-a0b0dbcb-4
0.378
MAR-TRE-a9136c7b-76
0.372
MAR-TRE-d0525fbf-84
0.370
MAT-POS-162a9720-2
0.368
NIL-NON-a189c016-1
0.368
UNK-UNK-2ede4078-86
0.360
UNK-UNK-2ede4078-15
0.356
UNK-UNK-2ede4078-69
0.356
SAD-SAT-135344c3-8
0.352
UNK-UNK-2ede4078-99
0.345
BEN-DND-7e92b6ca-15
0.344
AHN-SAT-02ef6d10-3
0.342
UNK-UNK-2ede4078-79
0.341
SAD-SAT-5b1897b2-4
0.338
UNK-UNK-2ede4078-42
0.337
BEN-DND-7e92b6ca-12
0.323
MAR-UCB-f313ec4d-5
0.323
ERI-UCB-a0b0dbcb-3
0.323
MIC-UNK-c5a20098-1
0.322
UNK-UNK-2ede4078-92
0.322
NAU-LAT-56d5284e-1
0.315
NAU-LAT-56d5284e-5
0.312
MIC-UNK-c5a20098-2
0.309
MAT-POS-b5746674-115
0.308
UNK-UNK-2ede4078-45
0.308
ERI-UCB-d6de1f3c-2
0.305
JAN-GHE-82a280f8-1
0.302
NAU-LAT-56d5284e-4
0.302
MIC-UNK-c5a20098-3
0.299
EDJ-MED-d1cd9639-1
0.296
MAT-POS-916a2c5a-4
0.295
EDJ-MED-78f964c8-1
0.295
MAR-UCB-f313ec4d-6
0.294
ERI-UCB-ce40166b-21
0.294
ERI-UCB-d6de1f3c-1
0.292
BEN-DND-7e92b6ca-14
0.289
MED-COV-4280ac29-38
0.287
MED-COV-4280ac29-14
0.286
MAK-UNK-6ca90168-15
0.286
MAT-POS-54c4bf04-4
0.283
EDJ-MED-d1cd9639-2
0.283
CLI-UNI-032f7715-1
0.282
MED-COV-4280ac29-29
0.280
DAR-DIA-1a77c53a-1
0.280
DAR-DIA-5d6f1b43-20
0.279
JAR-KUA-8c13982c-20
0.277
NAU-LAT-56d5284e-6
0.276
BEN-DND-7e92b6ca-11
0.274
BEN-DND-7e92b6ca-13
0.274
KRI-MAR-d2e3ef86-13
0.274
MIC-UNK-02d7a284-1
0.274
NAU-LAT-56d5284e-7
0.271
ERI-UCB-d6de1f3c-7
0.270
MAT-POS-590ac91e-69
0.270
ERI-UCB-d6de1f3c-8
0.267
LAV-MCD-880a620a-1
0.266
ERI-UCB-a0b0dbcb-12
0.265
UNK-UNK-2ede4078-74
0.265
MAK-UNK-6ca90168-1
0.265
WIL-LEE-23e8b574-8
0.264
UNK-UNK-2ede4078-75
0.263
PAT-UNK-b2d83456-3
0.262
MIC-UNK-02d7a284-2
0.261
JOH-UNI-23d9e1b1-1
0.259
JON-UNI-bb9dc649-16
0.253
SAD-SAT-b55127ae-1
0.253
DAN-LON-a5fc619e-2
0.253
SAM-UNK-2684b532-6
0.253
LON-WEI-ff7b210a-9
0.253
JOH-UNI-0e1753c1-3
0.250
JOH-UNI-0e1753c1-2
0.250
MAK-UNK-6ca90168-2
0.250
AAR-POS-d2a4d1df-35
0.250
HYO-UNK-49a60884-1
0.250
MED-COV-4280ac29-15
0.250
UNK-UNK-2ede4078-96
0.250
DAR-DIA-5d6f1b43-19
0.250
MIC-UNK-b9827f26-4
0.248
NAU-LAT-56d5284e-3
0.248
MAT-POS-590ac91e-70
0.248
UNK-UNK-2ede4078-85
0.247
NAU-LAT-a5c7d7cb-6
0.247
MED-COV-4280ac29-7
0.247
JOH-UNI-0e1753c1-1
0.247
MED-COV-4280ac29-6
0.247
ERI-UCB-d6de1f3c-5
0.246
ERI-UCB-d6de1f3c-3
0.246
ERI-UCB-d6de1f3c-6
0.246
DAR-DIA-1a77c53a-20
0.245
NAU-LAT-56d5284e-2
0.245