Molecular Properties | |
SMILES: | O=C1Nc2cc1ccc2Cc1cccc(CN2CCOCC2)c1 |
MW: | 308.15 |
Fraction sp3: | 0.32 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.57 |
cLogP: | 2.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-22
0.551
SAD-SAT-7d5528d9-19
0.520
SAD-SAT-7d5528d9-2
0.460
JOH-IMS-1436231f-6
0.389
AAR-POS-0daf6b7e-29
0.389
JOH-ILL-da934517-3
0.386
SAD-SAT-7d5528d9-11
0.382
SAD-SAT-7d5528d9-1
0.370
JAR-KUA-672ec752-7
0.363
SAD-SAT-7d5528d9-16
0.360
SAD-SAT-7d5528d9-8
0.348
JOH-ILL-da934517-1
0.341
MAK-UNK-987948f6-12
0.337
SAD-SAT-7d5528d9-31
0.326
SAD-SAT-7d5528d9-14
0.323
MAK-UNK-987948f6-10
0.316
MAK-UNK-987948f6-11
0.309
JOH-ILL-da934517-4
0.308
TAM-UNI-d1c3dd9f-12
0.305
SAD-SAT-7d5528d9-56
0.305
SAD-SAT-7d5528d9-3
0.296
SAD-SAT-7d5528d9-10
0.295
JOH-ILL-da934517-2
0.292
MAR-TRE-3724962b-31
0.268
MAR-TRE-ebcc4ad6-39
0.268
MAR-TRE-3e4e6814-16
0.262
JOK-SYG-18591e8f-1
0.261
JAN-GHE-1d98ec1c-2
0.256
WIL-LEE-23e8b574-3
0.256
SAD-SAT-24589cd1-6
0.255
DAR-DIA-5d6f1b43-13
0.254
JUL-TUD-06b2044f-147
0.253
SAD-SAT-7d5528d9-49
0.250
JOH-UNI-0e1753c1-3
0.247
HYO-UNK-49a60884-1
0.247
AAR-POS-d2a4d1df-35
0.247
MED-COV-4280ac29-15
0.247
MAK-UNK-849bee6c-7
0.245
PAT-UNK-b2d83456-3
0.244
AAR-POS-d2a4d1df-24
0.244
VIT-UNK-2a0afa28-1
0.243
MAK-UNK-849bee6c-9
0.242
SAD-SAT-7d5528d9-21
0.242
DRR-IMP-38dce17f-2
0.241
ROD-UFR-93b30032-1
0.240
AGN-NEW-c197b967-2
0.240
SAD-SAT-7d5528d9-24
0.240
SAD-SAT-f25ee457-4
0.238
VIT-UNK-cff011c0-1
0.236
MAR-TRE-fd17a9b8-20
0.236
VIT-UNK-2a0afa28-3
0.234
TAM-UNI-d1c3dd9f-1
0.234
MAK-UNK-849bee6c-8
0.234
DAR-DIA-fb20be43-16
0.234
MAK-UNK-176ca439-7
0.233
JOH-UNI-0e1753c1-2
0.233
JAN-GHE-fd8d85a5-12
0.231
DAR-DIA-b80f1cd7-6
0.231
SAD-SAT-7d5528d9-36
0.231
MAT-POS-ee51dedd-1
0.231
SAD-SAT-135344c3-9
0.231
SEA-TRI-67e8f1c7-1
0.230
MAK-UNK-10799360-19
0.229
DAR-DIA-b80f1cd7-13
0.228
PAT-UNK-b2d83456-1
0.227
MAK-UNK-6ca90168-13
0.227
JOH-UNI-23d9e1b1-1
0.227
AHN-SAT-02ef6d10-10
0.227
MAK-UNK-be5ffcbc-4
0.225
MAK-UNK-af83ef51-11
0.225
MAR-TRE-c317dd82-81
0.224
VIT-UNK-2a0afa28-2
0.224
JAN-GHE-1d98ec1c-8
0.223
SEA-TRI-9e600f3c-1
0.223
DAR-DIA-b80f1cd7-3
0.222
SIM-DEM-2843056b-1
0.222
PAT-UNK-b2d83456-2
0.222
AGN-NEW-c197b967-1
0.221
RED-RED-10c9212c-53
0.221
MAK-UNK-be5ffcbc-7
0.221
JOO-PER-74f994a9-1
0.221
AGN-NEW-fad6815c-2
0.220
AGN-NEW-817c14da-1
0.220
DAR-DIA-b80f1cd7-7
0.220
MAR-TRE-fd17a9b8-36
0.220
SAD-SAT-7d5528d9-30
0.220
SAD-SAT-7d5528d9-15
0.220
MAT-POS-b5746674-52
0.219
SAD-SAT-7d5528d9-6
0.219
STU-CHA-6cae54d3-1
0.219
BAR-COM-0f94fc3d-33
0.219
DAR-DIA-8e329c92-8
0.218
DAR-DIA-b80f1cd7-8
0.218
VIT-UNK-cff011c0-3
0.218
VIT-UNK-2a0afa28-4
0.218
MAK-UNK-176ca439-3
0.218
MAK-UNK-cd94b63c-1
0.218
JOH-UNI-0e1753c1-1
0.217
MAK-UNK-849bee6c-5
0.217
MAK-UNK-849bee6c-6
0.217