Molecular Properties | |
SMILES: | CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CC(F)CC1C#N |
MW: | 356.16 |
Fraction sp3: | 0.42 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 71.15 |
cLogP: | 2.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
N-C-Hal or cyano methyl
UNK-CYC-68f84b31-5
0.457
UNK-CYC-68f84b31-2
0.337
UNK-CYC-68f84b31-19
0.333
UNK-CYC-68f84b31-21
0.321
UNK-CYC-68f84b31-88
0.267
UNK-CYC-68f84b31-87
0.265
MAK-UNK-5d2caa6f-22
0.264
AAR-UNI-c25c2f1e-23
0.255
UNK-CYC-68f84b31-11
0.250
UNK-CYC-68f84b31-82
0.250
UNK-CYC-68f84b31-20
0.250
UNK-CYC-68f84b31-28
0.248
MAR-TRE-6a44bbf2-70
0.237
MAK-UNK-df1a028e-3
0.236
UNK-CYC-68f84b31-63
0.235
MAT-POS-af71705c-2
0.233
LON-WEI-5e7d1b3e-54
0.233
MAT-POS-b5746674-107
0.233
LON-WEI-4d77710c-54
0.233
MAT-POS-162a9720-1
0.230
AAR-UNI-c25c2f1e-49
0.227
MAT-POS-ea426761-98
0.227
ABI-SAT-ddc50085-1
0.225
LON-WEI-120e5cf5-12
0.224
LON-WEI-4d77710c-74
0.223
LON-WEI-5e7d1b3e-74
0.223
MAT-POS-b5746674-101
0.222
LON-WEI-5e7d1b3e-34
0.222
LON-WEI-4d77710c-34
0.222
UNK-CYC-68f84b31-86
0.221
UNK-CYC-68f84b31-55
0.218
UNK-CYC-68f84b31-85
0.217
MAT-POS-2492181e-8
0.217
TER-UNK-b9d4d16f-5
0.216
MAK-UNK-3e0761f8-8
0.216
MAT-POS-b5746674-110
0.216
UNK-CYC-68f84b31-3
0.215
MAT-POS-ea426761-78
0.215
UNK-CYC-68f84b31-23
0.214
MAK-UNK-df1a028e-7
0.214
MAR-TRE-14ce9fd6-67
0.213
LON-WEI-5e7d1b3e-75
0.213
LON-WEI-4d77710c-75
0.213
MAK-UNK-10dfa458-9
0.212
UNK-CYC-68f84b31-6
0.211
JON-UNI-bb9dc649-9
0.210
MAR-TRE-fffca54f-90
0.210
ZAC-MCD-b48cf8fd-1
0.209
MAK-UNK-df1a028e-2
0.208
UNK-CYC-68f84b31-35
0.208
LON-WEI-4d77710c-27
0.207
LON-WEI-5e7d1b3e-27
0.207
MAT-POS-916a2c5a-3
0.207
KRI-MAR-d2e3ef86-4
0.207
ABI-SAT-ddc50085-2
0.207
UNK-CYC-68f84b31-47
0.206
AAR-UNI-c25c2f1e-25
0.205
JAN-GHE-4287bd1a-3
0.205
LON-WEI-5e7d1b3e-42
0.205
LON-WEI-4d77710c-42
0.205
MAT-POS-b5746674-105
0.205
ARI-TAT-5792557e-19
0.204
SAD-SAT-2fd372d1-2
0.204
MAK-UNK-987948f6-9
0.204
MAK-UNK-ec98eaf6-48
0.204
BAR-COM-4e090d3a-34
0.204
AAR-UNI-c25c2f1e-55
0.204
MAR-TRE-0fda4e82-27
0.202
MAK-UNK-10dfa458-42
0.202
MAR-TRE-74c6519b-24
0.202
UNK-CYC-68f84b31-26
0.202
MAK-UNK-10799360-24
0.202
MIC-UNK-df342a3f-2
0.202
MAT-POS-a3f7f96a-4
0.202
UNK-CYC-68f84b31-49
0.202
PAU-UNI-6d15a9f5-7
0.201
BAR-COM-4e090d3a-36
0.200
UNK-CYC-68f84b31-41
0.200
MAT-POS-b5746674-99
0.200
MAR-TRE-6a44bbf2-44
0.200
MAT-POS-b5746674-106
0.200
MAK-UNK-9955b1f3-12
0.200
LON-WEI-4d77710c-56
0.198
LON-WEI-5e7d1b3e-56
0.198
ERI-UCB-a0b0dbcb-3
0.198
DAV-UNI-bdcebb58-4
0.198
MAR-TRE-a3327163-71
0.198
MAR-TRE-85681e92-11
0.198
MAK-UNK-df1a028e-4
0.198
PET-SGC-0f1d26ed-1
0.198
NAU-LAT-f723e322-4
0.198
DRA-CSI-47e38074-12
0.198
JAN-GHE-bf40f168-3
0.197
JAN-GHE-bf40f168-4
0.197
DAR-DIA-8e329c92-5
0.197
MAK-UNK-5d2caa6f-11
0.197
NIC-BIO-2722da07-2
0.197
JOH-UNI-522b0723-11
0.197
MAR-TRE-3159af1a-57
0.197
UNK-CYC-68f84b31-61
0.197