Molecular Properties | |
SMILES: | CC(=O)c1ccc(N2CCN(Cc3c(O)ccc4ccncc34)CC2)cc1 |
MW: | 361.18 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 56.67 |
cLogP: | 3.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-26 |
o-Substituted phenols (2)
Ketone
mannich_A(296)
UNK-UNK-2ede4078-53
0.356
KEI-UNI-85a52787-3
0.259
TRI-UNI-97428359-2
0.257
SEL-UNI-8426c22c-4
0.255
WAR-XCH-b72a1bbc-38
0.245
WAR-XCH-b72a1bbc-17
0.242
KEI-UNI-85a52787-4
0.241
SAD-SAT-5b1897b2-1
0.238
AAR-POS-0daf6b7e-18
0.238
JUL-TUD-06b2044f-128
0.235
WAR-XCH-b72a1bbc-36
0.234
MAR-TRE-9d18ae8c-74
0.234
LAV-MCD-880a620a-1
0.233
DRR-IMP-38dce17f-4
0.233
WIL-UNI-5578df48-30
0.231
KEI-UNI-85a52787-2
0.231
SAD-SAT-b55127ae-4
0.230
MAK-UNK-acefcb18-27
0.230
MAR-TRE-7f7bb9f0-58
0.229
MAK-UNK-acefcb18-20
0.229
MAK-UNK-de8f6d00-3
0.228
TRI-UNI-97428359-3
0.226
BEN-DND-6de5dfa0-17
0.226
KEI-UNI-85a52787-1
0.225
UNK-UNK-2ede4078-12
0.224
SAD-SAT-f0a2747f-4
0.223
BEN-DND-93268d01-9
0.222
JOO-PER-58e158bd-1
0.222
MAR-TRE-d0525fbf-64
0.222
MAR-TRE-1c920f6f-100
0.222
BEN-DND-09b88bf4-5
0.222
SAD-SAT-7d5528d9-2
0.221
SAM-UNK-2684b532-9
0.221
MAT-POS-162a9720-5
0.221
BEN-DND-6de5dfa0-26
0.220
MAK-UNK-acefcb18-25
0.220
KEI-UNI-85a52787-9
0.218
NIM-UNI-534877e5-2
0.218
BEN-DND-6de5dfa0-2
0.218
JUL-TUD-06b2044f-126
0.218
TRI-UNI-97428359-1
0.218
BEN-DND-09b88bf4-1
0.218
EDJ-MED-3c65e9ce-1
0.217
BEN-DND-93268d01-8
0.217
MAR-TRE-8190bb11-27
0.217
MAT-POS-162a9720-4
0.217
KEI-UNI-85a52787-10
0.217
DAV-CRI-d1e0885a-6
0.216
NIM-UNI-36e12f95-5
0.216
MAR-TRE-6a44bbf2-78
0.216
WAR-XCH-b72a1bbc-15
0.216
MAK-UNK-7c9d1431-13
0.216
ANU-UNK-2781581f-2
0.216
BEN-DND-6de5dfa0-19
0.215
BEN-DND-6de5dfa0-25
0.215
UNK-UNK-2ede4078-74
0.215
MAR-TRE-c317dd82-27
0.215
JUL-TUD-06b2044f-57
0.215
KEI-UNI-85a52787-5
0.215
MAR-TRE-2fd8122f-98
0.214
JAN-GHE-1d98ec1c-5
0.214
BEN-DND-6de5dfa0-6
0.214
DRR-IMP-38dce17f-6
0.214
KEI-UNI-85a52787-8
0.214
DAR-DIA-fc970077-5
0.213
ASH-SAT-43770c7d-5
0.213
LON-WEI-adc59df6-95
0.213
JAR-KUA-8c13982c-7
0.213
BEN-DND-6de5dfa0-27
0.213
KIM-UNI-60f168f5-6
0.213
KEI-UNI-85a52787-7
0.212
WIL-UNI-d4749f31-2
0.212
SAD-SAT-7d5528d9-1
0.212
NIM-UNI-534877e5-3
0.211
BRU-UNI-248b30bc-44
0.211
ALP-POS-780445ae-10
0.211
WAR-XCH-b72a1bbc-20
0.211
PET-SGC-6016d8e6-1
0.211
MAR-TRE-c8530538-63
0.211
BEN-DND-6de5dfa0-5
0.211
JOH-UNK-14e6adc5-7
0.211
MAT-POS-ea426761-76
0.210
KEI-UNI-85a52787-6
0.210
ALP-POS-a3de0cb1-11
0.210
NIM-UNI-363644a0-1
0.210
MAR-TRE-a3327163-1
0.210
EDJ-MED-3c65e9ce-3
0.210
SAD-SAT-7d5528d9-3
0.210
NIM-UNI-7f77122c-2
0.209
DAR-DIA-0cde14eb-19
0.209
PET-UNK-b78139fa-8
0.209
MAR-TRE-c8530538-60
0.209
MAK-UNK-acefcb18-21
0.209
NIR-WEI-dcc3321b-1
0.209
WAR-XCH-b72a1bbc-19
0.209
BEN-DND-93268d01-11
0.209
PET-UNK-f4e47ebd-9
0.209
EMI-TUK-b780fc43-1
0.208
BEN-DND-6de5dfa0-21
0.208
BEN-DND-09b88bf4-4
0.208