Molecular Properties | |
SMILES: | CN1CCN(c2ccc(CN3CCC(O)CC3)cc2C(=O)OC2COCC2O)CC1 |
MW: | 419.522 |
Fraction sp3: | 0.68 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 85.71 |
cLogP: | 0.311600000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (4)
Ester
anil_di_alk_D(198)
AAR-POS-d2a4d1df-7
MAK-UNK-acefcb18-27
0.410
MAK-UNK-acefcb18-28
0.370
MAK-UNK-acefcb18-25
0.344
AAR-POS-d2a4d1df-7
0.313
MAK-UNK-acefcb18-20
0.311
MAK-UNK-e4a48a85-18
0.288
MAK-UNK-acefcb18-21
0.277
LON-WEI-b2874fec-10
0.274
MAK-UNK-acefcb18-24
0.273
MAK-UNK-1cb0e944-13
0.272
MAK-UNK-31051d4e-2
0.269
MAK-UNK-e4a48a85-19
0.262
MAK-UNK-1cb0e944-12
0.262
MAK-UNK-acefcb18-22
0.262
MAK-UNK-e4a48a85-7
0.261
SAD-SAT-f25ee457-4
0.261
MAK-UNK-e4a48a85-17
0.256
NIY-UNK-62612a68-6
0.256
GIA-UNK-595fac82-5
0.255
CES-WAB-18e74d70-2
0.255
MAK-UNK-1cb0e944-2
0.254
MAK-UNK-5e88aa6a-4
0.254
CAM-STU-3ef21e73-1
0.250
MAK-UNK-31051d4e-1
0.248
MAK-UNK-31051d4e-3
0.245
PET-SGC-908c18f3-1
0.245
MAK-UNK-acefcb18-23
0.243
SAD-SAT-135344c3-9
0.243
MAK-UNK-e4a48a85-6
0.243
MAR-UNI-9d4da90d-5
0.242
JAN-UNI-2e92c4b1-3
0.240
PET-SGC-39d74636-2
0.240
MAK-UNK-5e88aa6a-7
0.240
MAK-UNK-1cb0e944-4
0.240
MAK-UNK-212f693e-15
0.239
SAM-UNK-2684b532-8
0.239
LYN-UNI-0d9431a4-4
0.238
MAK-UNK-5e88aa6a-12
0.237
PET-SGC-39d74636-1
0.237
JOK-SYG-18591e8f-1
0.235
VIT-UNK-2a0afa28-1
0.232
SAD-SAT-7d5528d9-21
0.230
NAU-LAT-b7d8c353-6
0.230
MAT-POS-b5746674-114
0.229
PAT-UNK-b2d83456-1
0.229
TRY-UNI-9f475305-1
0.229
TRY-UNI-1fd04853-4
0.229
MAK-UNK-e4a48a85-9
0.227
DRA-CSI-0a78d9ba-3
0.227
MAK-UNK-a7992eb3-11
0.226
DRV-UNK-dd7f8c68-1
0.225
DRV-UNK-64047f27-8
0.225
MAK-UNK-e4a48a85-3
0.225
DUN-NEW-f8ce3686-11
0.225
JOH-IMS-cc7b4c67-1
0.224
PAT-UNK-b2d83456-2
0.224
DRA-CSI-0a78d9ba-1
0.224
MAK-UNK-e4a48a85-14
0.223
JOO-PER-74f994a9-1
0.223
MAK-UNK-7c9d1431-18
0.223
MAK-UNK-e4a48a85-4
0.223
SAM-UNK-2684b532-9
0.223
MAR-UNI-9d4da90d-6
0.222
DRA-CSI-0a78d9ba-2
0.222
MAK-UNK-acefcb18-31
0.221
JOH-UNI-0e1753c1-2
0.221
UNK-UNK-2ede4078-98
0.221
VIT-UNK-2a0afa28-4
0.220
BEN-VAN-c986b20b-4
0.220
BEN-VAN-c986b20b-5
0.220
MAK-UNK-10dfa458-7
0.220
MAR-TRE-6a44bbf2-54
0.220
MAT-POS-ee51dedd-1
0.220
SAD-SAT-5b1897b2-5
0.220
MAK-UNK-7c9d1431-16
0.220
PAT-UNK-b2d83456-3
0.220
MAK-UNK-5e88aa6a-3
0.219
SAD-SAT-7d5528d9-7
0.219
MAK-UNK-10dfa458-14
0.219
SAM-UNK-83e03154-1
0.219
DAN-LON-a5fc619e-4
0.219
AAR-POS-d2a4d1df-24
0.219
TAM-UNI-d1c3dd9f-12
0.218
BEN-VAN-c986b20b-8
0.218
MAK-UNK-e4a48a85-26
0.218
JOH-ILL-da934517-2
0.218
BEN-VAN-c986b20b-18
0.217
MAK-UNK-3c359d2a-1
0.217
SAD-SAT-29425be4-30
0.217
MAK-UNK-176ca439-4
0.217
DRA-CSI-0a78d9ba-4
0.217
JOH-ILL-da934517-4
0.217
UNK-UNK-2ede4078-27
0.217
AHN-SAT-02ef6d10-10
0.216
DRR-IMP-38dce17f-2
0.216
MAK-UNK-31051d4e-4
0.216
MAK-UNK-212f693e-7
0.215
BEN-VAN-c986b20b-17
0.215
MAR-TRE-799db12b-52
0.215
SAD-SAT-7d5528d9-1
0.214