Molecular Properties | |
SMILES: | O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 |
MW: | 402.07 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 69.3 |
cLogP: | 3.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-26 |
UNK-UNK-2ede4078-45
0.370
UNK-UNK-2ede4078-63
0.368
UNK-UNK-2ede4078-69
0.358
UNK-UNK-2ede4078-1
0.355
UNK-UNK-2ede4078-31
0.352
ERI-UCB-a0b0dbcb-2
0.351
TAT-ENA-80bfd3e5-37
0.347
MAT-POS-fa06b69f-9
0.347
MAT-POS-54c4bf04-3
0.344
DAR-DIA-bd041b9b-24
0.333
DAR-DIA-bd041b9b-23
0.333
UNK-UNK-2ede4078-96
0.323
UNK-UNK-2ede4078-28
0.323
UNK-UNK-2ede4078-53
0.323
UNK-UNK-2ede4078-76
0.322
MAT-POS-8fd29122-2
0.322
UNK-UNK-2ede4078-86
0.319
DAR-DIA-bd041b9b-2
0.315
DAR-DIA-bd041b9b-3
0.312
UNK-UNK-2ede4078-93
0.311
PET-UNK-82544c07-1
0.311
MIC-UNK-b9827f26-1
0.310
DAR-DIA-bd041b9b-4
0.309
BEN-DND-7e92b6ca-14
0.309
UNK-UNK-2ede4078-10
0.307
BEN-DND-7e92b6ca-11
0.306
BEN-DND-7e92b6ca-15
0.306
KRI-MAR-d2e3ef86-13
0.306
DAR-DIA-bd041b9b-27
0.303
MAT-POS-916a2c5a-4
0.301
EDJ-MED-78f964c8-1
0.301
DAR-DIA-bd041b9b-5
0.300
DAR-DIA-bd041b9b-32
0.300
BEN-DND-7e92b6ca-12
0.300
MAR-UCB-f313ec4d-5
0.300
ERI-UCB-a0b0dbcb-3
0.300
UNK-UNK-2ede4078-88
0.300
ERI-UCB-a0b0dbcb-4
0.297
DAR-DIA-bd041b9b-9
0.296
UNK-UNK-2ede4078-75
0.296
MAT-POS-450cb4f9-2
0.293
DAR-DIA-bd041b9b-8
0.290
MAT-POS-450cb4f9-1
0.290
DAR-DIA-bd041b9b-7
0.288
MAR-UCB-f313ec4d-6
0.286
DAR-DIA-bd041b9b-6
0.282
MAT-POS-3b536971-2
0.282
SAD-SAT-65574d3f-9
0.280
DAR-DIA-bd041b9b-34
0.278
UNK-UNK-2ede4078-79
0.277
KRI-MAR-d2e3ef86-7
0.277
EDJ-MED-d1cd9639-1
0.276
ERI-UCB-ce40166b-21
0.275
UNK-UNK-2ede4078-42
0.273
DAR-DIA-bd041b9b-33
0.272
UNK-UNK-2ede4078-21
0.271
UNK-UNK-2ede4078-43
0.267
UNK-UNK-2ede4078-99
0.265
BEN-DND-7e92b6ca-16
0.265
UNK-UNK-2ede4078-33
0.263
MAR-TRE-a9136c7b-76
0.263
UNK-UNK-2ede4078-85
0.255
BEN-DND-7e92b6ca-13
0.255
UNK-UNK-2ede4078-24
0.252
JUL-TUD-06b2044f-141
0.252
UNK-UNK-2ede4078-70
0.250
MIC-UNK-b9827f26-3
0.250
AHN-SAT-02ef6d10-3
0.250
DAR-DIA-5d6f1b43-20
0.250
JAR-KUA-8c13982c-10
0.248
KRI-MAR-d2e3ef86-4
0.248
MAT-POS-916a2c5a-3
0.248
SAD-SAT-5b1897b2-4
0.247
LON-WEI-9739a092-6
0.246
ALP-POS-3fc1724e-4
0.246
MAT-POS-590ac91e-61
0.245
KRI-MAR-d2e3ef86-6
0.245
MAR-TRE-d0525fbf-84
0.243
JUL-TUD-06b2044f-54
0.241
UNK-UNK-2ede4078-15
0.240
NAU-LAT-c9bfe74c-4
0.240
KRI-MAR-d2e3ef86-5
0.240
BEN-DND-7e92b6ca-10
0.240
ERI-UCB-d6de1f3c-2
0.236
MAT-POS-590ac91e-57
0.236
ERI-UCB-d6de1f3c-1
0.236
ERI-UCB-a0b0dbcb-12
0.236
BEN-DND-7e92b6ca-7
0.235
NAU-LAT-56d5284e-4
0.234
NIL-NON-a189c016-1
0.233
MAT-POS-162a9720-2
0.233
MIC-UNK-b9827f26-4
0.232
NAU-LAT-56d5284e-3
0.231
MAT-POS-590ac91e-70
0.231
NAU-LAT-56d5284e-1
0.231
MAK-UNK-6ca90168-1
0.231
MIC-UNK-b9827f26-2
0.231
MAT-POS-54c4bf04-4
0.229
EDJ-MED-d1cd9639-2
0.229
BEN-DND-7e92b6ca-6
0.229