Molecular Properties | |
SMILES: | COc1cccc(-c2nccn2-c2ccc(-c3nnc(C)[nH]3)cc2)c1OC |
MW: | 361.15 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 77.85 |
cLogP: | 3.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5489493091 |
MolPort: | MolPort-020-221-646 |
dyes5A(27)
MAT-POS-ea426761-58
0.506
MAT-POS-ea426761-57
0.242
JON-UNI-bb9dc649-8
0.221
MAT-POS-ea426761-71
0.219
MAT-POS-ea426761-69
0.219
MAR-TRE-d0525fbf-28
0.218
KEI-TRE-d5e2018a-20
0.214
MAR-TRE-1c920f6f-36
0.211
MAR-TRE-143fb005-26
0.200
MAR-TRE-d3c2bf0e-68
0.200
WIL-UNI-2a57d06c-32
0.196
MAR-TRE-92684b97-10
0.195
MAR-TRE-a9136c7b-10
0.194
JON-UNI-93996c9d-11
0.192
ADA-UCB-6c2cb422-7
0.190
ALV-UNI-7ff1a6f9-21
0.189
IND-SYN-5e5c1c3e-1
0.188
IND-SYN-830dcead-1
0.188
IND-SYN-a2b2ab0e-2
0.188
MAR-TRE-1c920f6f-88
0.187
JON-UNI-bb9dc649-16
0.187
MAR-TRE-1c920f6f-67
0.184
MAT-POS-ea426761-70
0.184
MAR-TRE-799db12b-19
0.183
MAR-TRE-92684b97-84
0.181
MAR-TRE-143fb005-39
0.180
MAR-TRE-d0525fbf-69
0.179
DAR-DIA-1a77c53a-8
0.179
MAR-TRE-143fb005-5
0.179
ALV-UNI-7ff1a6f9-12
0.179
ALV-UNI-7ff1a6f9-4
0.178
MAR-TRE-3724962b-16
0.178
MAR-TRE-b77b7921-68
0.177
MAR-TRE-143fb005-9
0.177
MAR-TRE-be9ff7d2-86
0.176
MAR-TRE-04c86cea-70
0.176
VLA-UNK-5b0345c3-4
0.176
MAR-TRE-799db12b-85
0.176
ALV-UNI-7ff1a6f9-44
0.175
EDJ-MED-6af13d92-1
0.175
ALV-UNI-7ff1a6f9-39
0.175
ALP-POS-182116e9-3
0.175
JON-UNI-bb9dc649-9
0.175
ALV-UNI-7ff1a6f9-10
0.175
MAR-TRE-e86a56b5-7
0.174
MAR-TRE-04c86cea-39
0.174
MAR-TRE-3e4e6814-24
0.173
VLA-UNK-5b0345c3-1
0.173
MAR-TRE-b77b7921-48
0.172
DAR-DIA-1a77c53a-24
0.172
MAR-TRE-be9ff7d2-3
0.172
ALV-UNI-7ff1a6f9-28
0.171
ERI-UCB-a0b0dbcb-9
0.171
MAR-TRE-d0525fbf-70
0.171
ALV-UNI-7ff1a6f9-11
0.170
ALV-UNI-7ff1a6f9-24
0.170
ALV-UNI-7ff1a6f9-15
0.170
SAD-SAT-cefd50cc-8
0.170
MAR-TRE-4b834d9a-8
0.170
JON-UNI-bb9dc649-5
0.168
MAR-TRE-799db12b-78
0.168
MAR-TRE-d0525fbf-71
0.168
MAT-POS-590ac91e-44
0.167
DAR-DIA-1a77c53a-5
0.167
ALV-UNI-7ff1a6f9-37
0.167
IND-SYN-2c708b29-1
0.167
DAR-DIA-1a77c53a-6
0.167
DAR-DIA-1a77c53a-14
0.167
MAR-TRE-7f7bb9f0-73
0.167
MAT-POS-b5746674-96
0.167
SAD-SAT-29425be4-22
0.167
MAR-TRE-143fb005-31
0.167
MAR-TRE-143fb005-38
0.167
ALP-POS-19e898d3-1
0.165
MAR-TRE-d0525fbf-38
0.165
ALV-UNI-7ff1a6f9-9
0.165
ALV-UNI-7ff1a6f9-25
0.165
JON-UNI-bb9dc649-12
0.165
MAR-TRE-9d18ae8c-99
0.165
EDJ-MED-e66f2cc5-2
0.165
MAR-TRE-0fda4e82-82
0.165
MAR-TRE-4f39ef4a-60
0.165
KEI-TRE-fa9ada3e-3
0.165
MAT-POS-590ac91e-43
0.164
BAR-COM-4e090d3a-37
0.164
JAR-KUA-8c13982c-14
0.164
MAT-POS-91829f0d-1
0.164
MAR-UCB-f313ec4d-2
0.164
JAR-KUA-8c13982c-9
0.164
MAR-TRE-a9136c7b-70
0.163
ALV-UNI-7ff1a6f9-40
0.163
LOR-NOR-30067bb9-5
0.163
JON-UNI-93996c9d-1
0.163
MAR-LAB-ff9967db-38
0.163
DAR-DIA-1a77c53a-19
0.163
MAT-POS-4223bc15-34
0.163
MAT-POS-590ac91e-35
0.163
UNK-CYC-68f84b31-9
0.163
MAT-POS-590ac91e-41
0.162
MAR-TRE-d0525fbf-23
0.162