Molecular Properties | |
SMILES: | O=C1Cc2ccncc2N1c1cccc(CN2CCOCC2)c1 |
MW: | 309.15 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 45.67 |
cLogP: | 2.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
MAK-UNK-987948f6-12
0.593
MAK-UNK-987948f6-10
0.578
SAD-SAT-7d5528d9-16
0.414
SAD-SAT-7d5528d9-1
0.407
SAD-SAT-7d5528d9-14
0.402
SAD-SAT-7d5528d9-8
0.400
JOH-IMS-1436231f-6
0.397
AAR-POS-0daf6b7e-29
0.397
SAD-SAT-7d5528d9-2
0.387
MAK-UNK-987948f6-11
0.374
SAD-SAT-7d5528d9-3
0.372
SAD-SAT-7d5528d9-19
0.365
JOH-ILL-da934517-3
0.345
JOH-ILL-da934517-1
0.333
SAD-SAT-7d5528d9-9
0.326
SAD-SAT-7d5528d9-22
0.323
SAD-SAT-7d5528d9-15
0.319
JAR-KUA-672ec752-7
0.312
JOH-ILL-da934517-4
0.301
JOH-ILL-da934517-2
0.299
SAD-SAT-24589cd1-6
0.298
SAD-SAT-7d5528d9-49
0.296
SAD-SAT-7d5528d9-6
0.287
TAM-UNI-d1c3dd9f-12
0.286
SAD-SAT-7d5528d9-7
0.284
SAM-UNK-2684b532-14
0.284
JOR-UNI-2fc98d0b-1
0.282
PAT-UNK-b2d83456-3
0.281
JOR-UNI-2fc98d0b-6
0.276
SAD-SAT-135344c3-9
0.275
PET-UNK-5eca9d1d-3
0.274
SAD-SAT-b55127ae-4
0.267
SAD-SAT-7d5528d9-13
0.265
SAD-SAT-7d5528d9-21
0.264
SAD-SAT-7d5528d9-18
0.263
WIL-UNI-5578df48-30
0.262
SAD-SAT-7d5528d9-36
0.262
DAR-DIA-5d6f1b43-13
0.261
MAR-TRE-2fd8122f-39
0.260
JUL-TUD-06b2044f-147
0.260
JOR-UNI-61e7b1d5-3
0.259
JOR-UNI-2fc98d0b-9
0.259
NIM-UNI-7f77122c-3
0.258
SAD-SAT-7d5528d9-43
0.257
SAD-SAT-7d5528d9-35
0.257
DRR-IMP-38dce17f-4
0.256
BEN-DND-93268d01-10
0.256
SEA-TRI-9e600f3c-1
0.255
JOR-UNI-61e7b1d5-16
0.255
DAR-DIA-0f7b7cd9-5
0.252
BAR-COM-0f94fc3d-33
0.250
MAK-UNK-849bee6c-9
0.250
MAK-UNK-6ca90168-13
0.250
JOR-UNI-61e7b1d5-17
0.248
MAR-TRE-2fd8122f-35
0.248
JOR-UNI-61e7b1d5-4
0.246
ERI-UCB-ce40166b-24
0.245
MAR-TRE-66ac689e-54
0.245
MAR-TRE-c317dd82-81
0.245
MAR-TRE-a9136c7b-11
0.243
SAD-SAT-f0a2747f-4
0.243
JAG-UCB-cedd89ab-1
0.242
MAR-TRE-d0525fbf-26
0.242
JOH-UNI-0e1753c1-3
0.241
JOH-UNI-0e1753c1-2
0.241
HYO-UNK-49a60884-1
0.241
AAR-POS-d2a4d1df-35
0.241
MED-COV-4280ac29-15
0.241
MAR-TRE-9c797165-64
0.241
MAR-TRE-fd17a9b8-44
0.241
PET-UNK-eda34f30-1
0.240
COM-UCB-8c7d23dc-14
0.239
JOR-UNI-61e7b1d5-10
0.239
ALP-POS-305f6ec3-58
0.239
DAR-DIA-b80f1cd7-2
0.239
NIM-UNI-534877e5-3
0.238
SAD-SAT-7d5528d9-11
0.238
ALP-POS-02c6a514-55
0.237
WIL-LEE-23e8b574-3
0.237
ASH-SAT-43770c7d-3
0.237
JOH-UNI-23d9e1b1-1
0.236
AHN-SAT-02ef6d10-10
0.236
DAR-DIA-b80f1cd7-1
0.236
NIM-UNI-534877e5-2
0.235
BAR-COM-4e090d3a-58
0.235
MAR-TRE-799db12b-69
0.235
MAR-TRE-3e4e6814-45
0.235
MAR-TRE-fd17a9b8-7
0.235
DAR-DIA-b80f1cd7-13
0.235
PET-UNK-4dc48bbe-1
0.235
NIM-UNI-7f77122c-2
0.234
MED-COV-4280ac29-13
0.234
KIM-UNI-60f168f5-6
0.234
GIA-UNK-30c7cb75-5
0.234
JOR-UNI-61e7b1d5-11
0.234
SEA-TRI-f93fcab4-1
0.234
DAR-DIA-43a5904b-16
0.233
LON-WEI-adc59df6-25
0.233
VLA-UCB-1dbca3b4-4
0.232
SAD-SAT-7d5528d9-46
0.232