Molecular Properties | |
SMILES: | O=C(Cc1ccccc1O)N1CCOC2(CCN(Cc3cncnc3)CC2)C1 |
MW: | 382.2 |
Fraction sp3: | 0.48 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 78.79 |
cLogP: | 1.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2432428298 |
MolPort: | MolPort-045-956-733 |
MAR-TRE-dab8f6ea-2
0.578
MAR-TRE-dab8f6ea-4
0.356
MAR-TRE-dab8f6ea-10
0.346
MAR-TRE-dab8f6ea-6
0.318
MAK-UNK-748f8b7a-11
0.294
MAR-TRE-dab8f6ea-22
0.291
MAR-TRE-66ac689e-83
0.289
MAR-TRE-8190bb11-7
0.283
MAR-TRE-66ac689e-7
0.280
MAR-TRE-66ac689e-34
0.280
MAR-TRE-66ac689e-43
0.260
MAR-TRE-be9ff7d2-16
0.258
MIC-UNK-a28eba03-3
0.255
DRR-IMP-38dce17f-4
0.253
MAR-TRE-6a44bbf2-54
0.250
MAR-TRE-dab8f6ea-29
0.250
DRR-IMP-38dce17f-6
0.250
SAD-SAT-24589cd1-7
0.250
MAK-UNK-7c9d1431-16
0.250
BEN-VAN-c986b20b-5
0.248
MAK-UNK-748f8b7a-1
0.247
MAR-TRE-e82e6c98-52
0.245
MAR-TRE-799db12b-89
0.245
MAK-UNK-af83ef51-1
0.245
MAK-UNK-009ebe36-8
0.243
MAR-TRE-a9136c7b-89
0.243
BEN-VAN-c986b20b-3
0.243
DRR-IMP-38dce17f-7
0.242
MAK-UNK-6ca90168-14
0.242
MAK-UNK-7c9d1431-24
0.241
DRR-IMP-38dce17f-3
0.241
MIC-UNK-a28eba03-1
0.240
SWA-SYN-40d44a84-1
0.240
MAR-TRE-dab8f6ea-35
0.239
SAD-SAT-b55127ae-4
0.237
JIA-UNI-93b03cae-1
0.237
WIL-LEE-23e8b574-2
0.237
WIL-LEE-23e8b574-4
0.237
MAR-TRE-799db12b-17
0.236
MAR-TRE-c317dd82-69
0.236
JUL-TUD-06b2044f-85
0.235
MAR-TRE-799db12b-64
0.231
MAR-TRE-66ac689e-40
0.231
MAR-TRE-c317dd82-81
0.231
MAR-TRE-799db12b-52
0.231
SAD-SAT-24589cd1-2
0.230
JAN-GHE-1d98ec1c-8
0.230
JAN-GHE-fd8d85a5-1
0.230
BEN-VAN-c986b20b-15
0.229
MIC-UNK-a28eba03-4
0.228
MAR-TRE-8190bb11-82
0.228
JAN-GHE-fd8d85a5-6
0.226
SAL-INS-1c7a5a55-12
0.225
MAK-UNK-7c9d1431-29
0.225
MAK-UNK-919546f0-4
0.224
MAK-UNK-7c9d1431-14
0.224
MAR-TRE-9d18ae8c-73
0.224
MAK-UNK-748f8b7a-5
0.223
MAK-UNK-7c9d1431-20
0.223
DUN-NEW-d8381160-1
0.223
MAK-UNK-f2409524-7
0.223
MAR-TRE-c317dd82-13
0.222
MAK-UNK-10dfa458-8
0.222
SAL-INS-1ea6d4ee-4
0.221
WIL-UNI-5578df48-26
0.221
BRU-LEF-ae0885ba-1
0.221
DAR-DIA-fb20be43-4
0.221
PAU-UNI-52c0427f-1
0.221
MAK-UNK-6ca90168-9
0.221
PAT-GYR-de8eec61-7
0.220
SEL-UNI-cd366922-6
0.220
MAK-UNK-748f8b7a-15
0.220
SAL-INS-1ea6d4ee-3
0.219
MAR-TRE-66ac689e-61
0.219
BEN-VAN-c986b20b-10
0.219
MAR-TRE-66ac689e-29
0.219
TAM-UNI-d1c3dd9f-18
0.219
JAN-GHE-fd8d85a5-4
0.219
MAK-UNK-1ac43cfa-2
0.218
KAD-UNI-8a629cb0-26
0.218
JOH-IMS-4b4cc7e6-3
0.218
MIH-UNI-e573136b-5
0.218
SCO-CSI-e30c12ee-1
0.218
MAK-UNK-6ca90168-10
0.217
MAR-TRE-fd17a9b8-44
0.217
SAD-SAT-24589cd1-4
0.217
BOG-INS-bdba9cfb-1
0.217
SAD-SAT-7d5528d9-3
0.216
SAD-SAT-7d5528d9-2
0.216
PAT-GYR-de8eec61-4
0.216
MAR-TRE-8190bb11-81
0.216
KIM-UNI-7d12df64-2
0.216
MAK-UNK-7c9d1431-18
0.216
DAR-DIA-fb20be43-17
0.216
RAM-SYN-2a37ce6c-1
0.215
MAK-UNK-748f8b7a-8
0.215
MAR-TRE-a9136c7b-65
0.215
MAR-TRE-dab8f6ea-41
0.215
JOE-SYG-2c9a1216-3
0.215
MAR-TRE-c317dd82-7
0.215