Molecular Properties | |
SMILES: | CCOc1c(N)c2c(c(OCC)c1OCC)C(C1c3c(cc4c(c3OC)OCO4)CCN1C)OC2=O |
MW: | 500.22 |
Fraction sp3: | 0.5 |
HBA: | 10 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 110.94 |
cLogP: | 3.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5829909894 |
aniline
aniline
Ester
analine
ZHA-UNK-6154d07a-3
0.302
BRU-UNI-248b30bc-51
0.241
ALP-POS-bb8a3193-8
0.211
MAR-TRE-fffca54f-82
0.206
JOH-UNI-e19b918c-1
0.203
MAT-POS-ea426761-71
0.198
KRI-MAR-d2e3ef86-24
0.195
KRI-MAR-d2e3ef86-23
0.191
ALP-POS-bb8a3193-9
0.191
NJA-MAN-b9fb953f-1
0.189
JAR-KUA-8c13982c-18
0.188
KEI-TRE-fa9ada3e-15
0.185
MAR-TRE-f6f5f473-14
0.182
JOH-UNI-e19b918c-3
0.182
MAR-TRE-d0525fbf-57
0.181
MAR-TRE-b77b7921-72
0.181
ALP-POS-df536be7-4
0.180
MAR-TRE-d0525fbf-39
0.179
KRI-MAR-d2e3ef86-22
0.178
MAR-TRE-d0525fbf-40
0.175
AAR-POS-fca48359-3
0.175
DAV-UNI-bdcebb58-1
0.175
JOH-UNI-e19b918c-13
0.174
MAT-POS-fb82b63d-3
0.174
MAR-TRE-b77b7921-14
0.174
JOH-UNI-e19b918c-12
0.173
ALP-POS-bb8a3193-4
0.172
MAR-TRE-04c86cea-28
0.172
LON-WEI-0a73fcb8-2
0.172
MAR-TRE-3159af1a-34
0.172
MAR-TRE-dab8f6ea-9
0.172
NEA-WAB-7f018ee1-1
0.171
JOH-UNI-e19b918c-14
0.171
NEH-REV-107bcf72-3
0.171
ROD-UFR-7c6582a7-1
0.171
JUL-TUD-06b2044f-81
0.171
MAR-TRE-3159af1a-30
0.170
MAT-POS-590ac91e-45
0.170
EDJ-MED-2791eece-3
0.170
MAT-POS-b5746674-64
0.169
RIT-AID-d1f3f5d2-1
0.169
MAR-TRE-04c86cea-37
0.169
JUL-TUD-06b2044f-63
0.169
MAR-TRE-b77b7921-38
0.169
MAR-TRE-d0525fbf-59
0.168
MAR-TRE-3159af1a-97
0.168
MAT-POS-e478a234-1
0.168
MAR-TRE-04c86cea-61
0.168
MEL-NAT-8c3652c8-2
0.168
BRU-UNI-418e22dc-12
0.168
JUL-TUD-06b2044f-62
0.168
JON-UNI-93996c9d-7
0.167
JOH-UNI-f51e3bbc-1
0.167
MAR-TRE-d0525fbf-19
0.167
MAR-TRE-3e4e6814-96
0.167
MAR-TRE-3159af1a-3
0.167
EDJ-MED-ba7e64f2-2
0.167
KAD-UNI-877d7bed-4
0.166
MAR-TRE-f6f5f473-48
0.166
BRU-UNI-248b30bc-28
0.166
MAR-TRE-d0525fbf-13
0.165
MAR-TRE-9c797165-25
0.165
MAR-TRE-3e4e6814-42
0.165
MAR-TRE-d0525fbf-46
0.165
JOH-MR_-42fa5481-9
0.165
MAR-TRE-ebcc4ad6-24
0.165
MAN-UBA-9f922de6-1
0.165
JOH-UNI-e19b918c-11
0.165
KAD-UNI-877d7bed-8
0.164
MAR-TRE-3724962b-31
0.164
JUL-TUD-06b2044f-75
0.164
MAR-TRE-ebcc4ad6-39
0.164
JOH-UNI-3fc3434e-12
0.164
JOH-UNI-ee5ed7c8-12
0.164
MAR-TRE-d0525fbf-67
0.164
JOH-UNI-e19b918c-7
0.164
JOH-UNI-e19b918c-2
0.164
KAD-UNI-877d7bed-9
0.164
ERI-UCB-b3e6b0c2-19
0.163
EDJ-MED-036ae2e9-5
0.163
MAR-TRE-dab8f6ea-22
0.163
JAR-KUA-8c13982c-15
0.163
DAV-UNI-bdcebb58-4
0.163
MAR-TRE-3159af1a-94
0.163
MAT-POS-b5746674-135
0.162
MAK-UNK-10572812-14
0.162
ALP-POS-ecbed2ba-14
0.162
LAU-MED-88a3970a-13
0.162
MAR-TRE-04c86cea-20
0.162
LAU-MED-88a3970a-14
0.162
MAR-TRE-74c6519b-87
0.162
MAR-TRE-4b834d9a-58
0.162
EDJ-MED-e4b030d8-7
0.162
DAR-DIA-6a508060-4
0.162
MAR-TRE-b77b7921-82
0.162
JOH-UNI-f51e3bbc-2
0.162
MAT-POS-43fe65f4-1
0.162
RAL-THA-05e671eb-30
0.162
RAL-THA-05e671eb-19
0.162
BEN-VAN-c986b20b-11
0.162