Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)C1CCN(C(=O)C(Cl)c2cccnc2)CC1 |
MW: | 357.841 |
Fraction sp3: | 0.32 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 62.3 |
cLogP: | 3.2388 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
secondary_halide_sulfate
Filter6_benzyl_halide
BEN-DND-031a96cc-1
0.620
BEN-DND-031a96cc-3
0.557
MAK-UNK-10799360-25
0.512
JAG-SYN-9c2cd0bd-7
0.507
BEN-DND-031a96cc-6
0.506
LON-WEI-120e5cf5-15
0.500
MAR-TRE-6a44bbf2-86
0.500
JAG-SYN-9c2cd0bd-4
0.486
JAG-SYN-9c2cd0bd-3
0.479
JAG-SYN-9c2cd0bd-8
0.467
LON-WEI-120e5cf5-11
0.462
JAG-SYN-9c2cd0bd-14
0.446
JAG-SYN-9c2cd0bd-9
0.446
MAR-TRE-3e4e6814-54
0.427
BEN-DND-031a96cc-5
0.407
BEN-DND-031a96cc-4
0.390
MAR-TRE-d0525fbf-90
0.381
KEI-TRE-d5e2018a-38
0.368
LON-WEI-120e5cf5-20
0.362
BEN-DND-031a96cc-7
0.358
MAK-UNK-10799360-24
0.357
AAR-POS-d2a4d1df-11
0.356
MAR-TRE-2fd8122f-16
0.351
LON-WEI-120e5cf5-19
0.345
KEI-TRE-d5e2018a-73
0.344
MAR-TRE-2fd8122f-19
0.340
MAR-TRE-2fd8122f-29
0.340
LON-WEI-120e5cf5-10
0.337
MAR-TRE-04c86cea-46
0.337
MAR-TRE-2fd8122f-33
0.337
BEN-DND-031a96cc-8
0.333
AAR-POS-0daf6b7e-32
0.333
MAR-TRE-2fd8122f-90
0.333
RAL-MED-9a5eb9cb-9
0.327
WIL-UNI-5578df48-6
0.325
MAR-TRE-f6f5f473-31
0.323
LON-WEI-b2874fec-25
0.323
LON-WEI-120e5cf5-4
0.319
MAR-TRE-9c797165-80
0.318
JOH-IMS-62aeb97d-3
0.317
MAK-UNK-009ebe36-8
0.316
MAR-TRE-74c6519b-51
0.315
MAR-TRE-2fd8122f-18
0.315
JAG-SYN-9c2cd0bd-5
0.314
WIL-UNI-5578df48-7
0.314
MED-UNK-e6e8ef8a-7
0.313
MAR-TRE-2fd8122f-27
0.312
LON-WEI-120e5cf5-1
0.311
AAR-POS-f650c5f2-4
0.311
LON-WEI-120e5cf5-17
0.311
AAR-POS-5507155c-2
0.311
DAR-DIA-fc970077-14
0.310
LON-WEI-120e5cf5-2
0.309
MAR-TRE-f6f5f473-6
0.309
AUS-ARG-7cfdce8f-11
0.309
DAR-DIA-fc970077-9
0.309
ALP-POS-02c6a514-56
0.308
SIM-SYN-a98e6a07-2
0.304
WIL-UNI-5578df48-17
0.304
LON-WEI-120e5cf5-9
0.303
MAR-TRE-04c86cea-17
0.302
MAR-TRE-74c6519b-66
0.302
MAK-UNK-a7b37c5e-1
0.301
MAR-TRE-2fd8122f-13
0.301
LON-WEI-120e5cf5-12
0.301
MAR-TRE-d0525fbf-64
0.301
LON-WEI-120e5cf5-21
0.300
KEI-TRE-d5e2018a-15
0.298
MAR-TRE-7f7bb9f0-18
0.298
MED-UNK-e6e8ef8a-1
0.298
MAK-UNK-b2c98f02-5
0.297
MAR-TRE-04c86cea-31
0.296
JAN-GHE-76def03c-2
0.294
PET-UNK-ac320b15-3
0.294
PET-UNK-ac320b15-4
0.294
ASH-UNK-40b46b30-9
0.293
SAD-SAT-689b7d5a-4
0.292
MAK-UNK-d1e89583-8
0.292
MAK-UNK-c97f7c8f-2
0.292
ADA-UNI-f8e79267-5
0.292
DRA-CSI-7ec17797-1
0.291
MAR-TRE-6a44bbf2-15
0.291
AAR-POS-0daf6b7e-6
0.291
NIM-UNI-bb9030bf-11
0.290
AAR-UNI-c25c2f1e-75
0.290
ALP-POS-780445ae-8
0.290
LON-WEI-120e5cf5-13
0.289
ADA-UNI-f8e79267-6
0.289
WIL-UNI-5578df48-5
0.289
MAR-TRE-7f7bb9f0-26
0.289
SAN-PRS-52b81272-2
0.287
MAR-TRE-2fd8122f-81
0.287
WIL-UNI-5578df48-8
0.287
ADA-UNI-f8e79267-4
0.286
BEN-DND-362d364a-12
0.286
MAR-TRE-04c86cea-35
0.286
MAR-TRE-f6f5f473-23
0.286
MED-UNK-cd1acb4a-1
0.286
PET-SGC-d0156db4-1
0.286
DRE-WAB-ae4a693c-1
0.286