Molecular Properties | |
SMILES: | O=C(NCCNc1ccnc2cc(Cl)ccc12)Nc1ccc(F)cc1 |
MW: | 358.804 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 66.05 |
cLogP: | 4.2609 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-05-13 |
Aliphatic long chain
AAR-POS-d2a4d1df-1
MAR-TRE-f5c2d31c-38
0.385
MAR-TRE-f5c2d31c-81
0.343
LON-WEI-1908424e-17
0.343
PAF-PIO-d312ccf6-1
0.327
CAS-DEP-751a2458-6
0.306
MAR-TRE-6a44bbf2-85
0.305
ATU-SYN-3e3fbfe4-1
0.301
MAR-TRE-f5c2d31c-13
0.299
AAR-UNI-c25c2f1e-79
0.292
MAR-TRE-6c5ef77a-92
0.283
AAR-UNI-c25c2f1e-78
0.283
MAR-TRE-f5c2d31c-96
0.282
AAR-UNI-c25c2f1e-51
0.281
CAS-DEP-751a2458-4
0.275
MAR-TRE-6c5ef77a-66
0.274
MAR-TRE-f5c2d31c-28
0.271
JOH-UNI-c7afdb96-2
0.270
AAR-UNI-c25c2f1e-46
0.270
MAR-TRE-f5c2d31c-36
0.269
MAR-TRE-6a44bbf2-47
0.267
MAR-TRE-fd17a9b8-49
0.266
MAR-TRE-f5c2d31c-70
0.266
AAR-UNI-c25c2f1e-97
0.266
EDJ-MED-c8e7a002-10
0.265
MAR-TRE-6a44bbf2-90
0.262
MAR-TRE-a3327163-54
0.262
MAR-TRE-3159af1a-64
0.261
MAR-TRE-f5c2d31c-11
0.259
MAR-TRE-f5c2d31c-27
0.259
JAG-UCB-52b62a6f-9
0.259
ISA-SCH-8e98219b-2
0.258
MAR-TRE-f5c2d31c-7
0.257
MAR-TRE-f5c2d31c-42
0.257
MAR-TRE-f5c2d31c-20
0.257
MAK-UNK-0cb6a3ad-11
0.256
MAR-TRE-f5c2d31c-19
0.255
JOH-SUS-a69c159d-5
0.252
MAR-TRE-7f7bb9f0-56
0.250
MAR-TRE-6c5ef77a-32
0.248
AAR-UNI-c25c2f1e-98
0.248
GAB-REV-70cc3ca5-4
0.248
MAT-POS-67c9d7d9-1
0.247
ISA-SCH-8e98219b-1
0.247
MAR-TRE-7f7bb9f0-77
0.245
BAR-COM-4e090d3a-10
0.245
MAR-TRE-7f7bb9f0-26
0.243
MAR-TRE-6c5ef77a-74
0.242
JOH-SUS-a69c159d-7
0.241
BEN-VAN-ed886787-16
0.241
BEN-VAN-ed886787-5
0.241
MAR-TRE-7f7bb9f0-93
0.239
MAR-TRE-6c5ef77a-24
0.239
MAR-TRE-f5c2d31c-29
0.239
MAR-TRE-f5c2d31c-99
0.239
EDJ-MED-e69ed63d-13
0.238
EDJ-MED-e69ed63d-15
0.238
MAR-TRE-f5c2d31c-37
0.238
BEN-DND-a88ffd65-4
0.238
SAD-SAT-135344c3-6
0.238
PET-UNK-c671f938-5
0.237
PET-UNK-c671f938-1
0.237
MAR-TRE-3159af1a-12
0.237
KAT-UNK-b2a0d5b1-1
0.237
MAR-TRE-f5c2d31c-52
0.236
JUL-TUD-06b2044f-151
0.236
UNK-UNK-2ede4078-5
0.234
JAG-UCB-52b62a6f-4
0.234
AAR-UNI-c25c2f1e-30
0.234
EDJ-MED-e69ed63d-7
0.234
MAR-TRE-3159af1a-18
0.234
MAR-TRE-6a44bbf2-16
0.233
RUB-POS-1325a9ea-17
0.232
MAK-UNK-37f1d6fa-2
0.232
WIL-UNI-354943b6-5
0.232
DAN-MCD-c163c0bb-1
0.231
MAR-TRE-3e4e6814-66
0.231
JAG-UCB-c61058a9-27
0.231
MAK-UNK-37f1d6fa-7
0.231
MAR-TRE-6c5ef77a-86
0.231
MAR-TRE-f5c2d31c-35
0.230
MAR-TRE-f5c2d31c-54
0.230
MAR-TRE-f5c2d31c-57
0.229
EDJ-MED-e69ed63d-17
0.228
MAR-TRE-f5c2d31c-33
0.228
MAR-TRE-f5c2d31c-83
0.228
MAR-TRE-3159af1a-30
0.228
EDJ-MED-c8e7a002-9
0.228
MAR-TRE-6a44bbf2-93
0.227
MAR-TRE-f5c2d31c-9
0.227
MAR-TRE-e82e6c98-50
0.227
EDJ-MED-c3ea9889-6
0.226
MAR-TRE-f5c2d31c-85
0.226
EDG-MED-0da5ad92-13
0.226
JIN-POS-6dc588a4-11
0.225
TRY-UNI-1fd04853-9
0.225
MAT-POS-f7918075-3
0.225
MIC-UNK-08cd9c58-1
0.225
MEV-UNK-0bf23af6-1
0.225
JOH-SUS-a69c159d-2
0.225
MAR-TRE-f5c2d31c-22
0.225