Molecular Properties | |
SMILES: | CC(=O)NCCc1cn(C)c2cc(C(C)NC(=O)CCl)ccc12 |
MW: | 335.835 |
Fraction sp3: | 0.41 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 63.13 |
cLogP: | 2.2729 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
TAM-UNI-d1c3dd9f-24
0.500
TAM-UNI-d1c3dd9f-19
0.466
SAN-PRS-3c4a6997-3
0.442
DAV-CRI-3edb475e-1
0.378
JOK-SYG-b7365cd7-1
0.375
AAR-POS-0daf6b7e-10
0.365
TAM-UNI-d1c3dd9f-22
0.337
TAM-UNI-d1c3dd9f-20
0.337
PET-SGC-708ec5d8-1
0.333
DAV-CRI-3edb475e-2
0.329
DUN-NEW-f8ce3686-8
0.327
DAV-CRI-3edb475e-6
0.325
TAM-UNI-d1c3dd9f-11
0.324
ROB-UNI-b2e39629-8
0.319
ROB-UNI-b2e39629-11
0.313
AAR-POS-d2a4d1df-39
0.312
DUN-NEW-f8ce3686-13
0.312
ROB-UNI-b2e39629-6
0.303
DAV-CRI-14a23e73-4
0.298
SIM-DEM-5935bd74-3
0.295
ROB-UNI-b2e39629-12
0.291
DUN-NEW-f8ce3686-5
0.290
DUN-NEW-f8ce3686-6
0.290
ROB-UNI-b2e39629-5
0.289
DAV-CRI-3edb475e-3
0.287
DAV-CRI-14a23e73-2
0.287
DUN-NEW-f8ce3686-21
0.286
JOH-MSK-ec639444-3
0.286
DAV-CRI-14a23e73-1
0.286
MAR-TRE-6a44bbf2-81
0.284
ROB-UNI-b2e39629-7
0.280
SAN-PRS-3c4a6997-1
0.279
JOH-MEM-5e386bbd-3
0.279
ALE-ACE-2610ee4d-1
0.273
JOH-MSK-35a8745a-1
0.273
MAR-UCB-195bc32d-21
0.273
ANT-OPE-81f9835f-1
0.271
CHA-MCP-85291e1d-7
0.269
ROB-UNI-b2e39629-9
0.268
MAR-UCB-195bc32d-16
0.267
JOH-MSK-a63bdd1d-4
0.267
BEN-DND-362d364a-7
0.265
MAR-TRE-3159af1a-53
0.265
AAR-POS-d2a4d1df-2
0.264
SAN-PRS-3c4a6997-5
0.264
MAT-GIT-deadff56-2
0.264
DAV-CRI-14a23e73-6
0.263
SAN-PRS-3c4a6997-2
0.262
ANT-DIA-b7f58f21-4
0.260
MED-COV-4280ac29-21
0.259
JOH-MSK-a63bdd1d-5
0.258
TAM-UNI-d1c3dd9f-21
0.258
MAR-UCB-195bc32d-20
0.256
MAT-GIT-deadff56-1
0.256
JOH-MSK-a63bdd1d-1
0.256
JOH-MEM-4bb7e4cc-1
0.256
DUN-NEW-f8ce3686-12
0.256
JON-UIO-82a15e73-7
0.253
JOH-MEM-5e386bbd-8
0.253
BEN-DND-362d364a-8
0.253
ROB-UNI-b2e39629-4
0.253
ROB-UNI-b2e39629-10
0.253
DAR-DIA-fb20be43-15
0.252
DUN-NEW-f8ce3686-9
0.252
NAU-LAT-0543f7f2-3
0.250
MAR-TRE-c317dd82-56
0.250
NAU-LAT-30527ac5-5
0.250
DAV-CRI-14a23e73-5
0.250
NIR-THE-0d6461ce-2
0.248
MAR-TRE-3159af1a-94
0.247
DAV-CRI-eab5efcb-8
0.247
DAV-CRI-eab5efcb-2
0.247
DAV-CRI-eab5efcb-1
0.247
WIL-LEE-23e8b574-2
0.247
NIR-THE-0d6461ce-3
0.245
STU-CHA-91df9a40-1
0.245
MAK-UNK-be5ffcbc-6
0.245
MAR-TRE-3159af1a-98
0.245
ELE-IMP-dfb36048-2
0.245
CAL-AMP-9edebd8f-1
0.245
DUN-NEW-f8ce3686-10
0.245
MAK-UNK-be5ffcbc-9
0.244
MAK-UNK-ec98eaf6-33
0.243
NAU-LAT-81109c57-3
0.243
CHA-MCP-85291e1d-1
0.242
WIL-LEE-1f71e281-6
0.242
HAN-NEW-5f56c3bc-2
0.242
DAV-CRI-eab5efcb-7
0.242
DAV-CRI-eab5efcb-5
0.242
NAU-LAT-81109c57-6
0.240
DUN-NEW-f8ce3686-24
0.240
DAR-DIA-fb20be43-11
0.240
STU-CHA-bc0a9883-1
0.240
NAU-LAT-f723e322-1
0.240
JOK-SYG-302da050-1
0.240
JOH-CHE-3504ac3d-2
0.240
TAM-UNI-c140e31a-15
0.240
SAM-UNK-903735bd-2
0.240
ELE-IMP-dfb36048-1
0.240
PET-SGC-f818f65b-1
0.240