Molecular Properties | |
SMILES: | CC(=O)N1CCN(Cc2cc(Cl)cnc2NCCO)CC1 |
MW: | 312.801 |
Fraction sp3: | 0.57 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 68.7 |
cLogP: | 0.8033 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
JAN-GHE-fd8d85a5-1
0.514
JAN-GHE-fd8d85a5-2
0.434
JAN-GHE-fd8d85a5-6
0.432
BRU-LEF-ae0885ba-1
0.430
DAR-DIA-fb20be43-4
0.430
PAU-UNI-52c0427f-1
0.430
KIM-UNI-7d12df64-1
0.427
DAR-DIA-fb20be43-1
0.425
KIM-UNI-7d12df64-3
0.425
DAR-DIA-fb20be43-5
0.420
KIM-UNI-2ee5d8f9-1
0.386
JAN-GHE-fd8d85a5-10
0.372
JAN-GHE-fd8d85a5-9
0.366
KIM-UNI-7d12df64-2
0.358
JAN-GHE-fd8d85a5-8
0.349
WIL-LEE-23e8b574-2
0.347
BEN-VAN-d8fd1356-20
0.345
DAV-CRI-d1e0885a-3
0.337
BEN-VAN-c986b20b-13
0.333
DAV-CRI-d1e0885a-2
0.330
JUL-TUD-06b2044f-119
0.330
JAN-GHE-fd8d85a5-5
0.329
BEN-VAN-c986b20b-3
0.326
JAN-GHE-fd8d85a5-4
0.326
MED-COV-4280ac29-35
0.326
STU-CHA-464c0256-1
0.322
JOO-PER-58e158bd-1
0.322
WIL-LEE-23e8b574-3
0.321
MAK-UNK-6435e6c2-2
0.319
PAT-UNK-b2d83456-2
0.316
BEN-VAN-c986b20b-5
0.315
PAT-UNK-b2d83456-5
0.312
JOH-MSK-d60b0211-1
0.312
BEN-VAN-c986b20b-10
0.310
TAM-UNI-d1c3dd9f-18
0.310
BEN-VAN-d8fd1356-21
0.310
PAT-UNK-b2d83456-1
0.308
HYO-UNK-50298ba0-1
0.306
MAK-UNK-6435e6c2-3
0.306
DAR-DIA-fb20be43-15
0.305
MED-COV-4280ac29-33
0.305
HEI-REL-0c990a45-4
0.303
JAN-GHE-1d98ec1c-4
0.302
BEN-VAN-d8fd1356-24
0.302
PAU-UNI-19862c28-1
0.302
MED-COV-4280ac29-37
0.302
DAR-DIA-fb20be43-8
0.302
PET-SGC-39d74636-2
0.301
JAN-UNI-2e92c4b1-3
0.301
SEL-UNI-cd366922-6
0.301
BEN-VAN-c986b20b-7
0.301
JUL-TUD-06b2044f-73
0.301
TAM-UNI-d1c3dd9f-13
0.300
MAT-POS-4e253971-2
0.299
JAN-GHE-fd8d85a5-12
0.298
PAU-UNI-8cdd41c7-1
0.297
PAT-UNK-b2d83456-4
0.297
JUL-TUD-06b2044f-136
0.295
SAD-SAT-581007d4-7
0.295
WIL-LEE-23e8b574-4
0.295
MAK-UNK-7c9d1431-20
0.295
SAD-SAT-581007d4-2
0.295
MAT-POS-2db6411e-2
0.295
MAK-UNK-af83ef51-27
0.293
PAT-UNK-b2d83456-3
0.293
DAR-DIA-fb20be43-3
0.292
JOH-UNI-23d9e1b1-1
0.291
SAD-SAT-581007d4-8
0.291
BEN-DND-6de5dfa0-19
0.289
VIC-UNI-33d4332f-1
0.287
HEI-REL-0c990a45-5
0.286
ALP-POS-3fc1724e-4
0.286
NIR-THE-0d6461ce-6
0.286
SAD-SAT-bc31ec01-1
0.286
STU-CHA-6cae54d3-1
0.284
JAN-GHE-1d98ec1c-5
0.284
STE-UNK-13e151dd-1
0.284
DAR-DIA-fb20be43-17
0.283
DAR-DIA-fb20be43-18
0.283
STU-CHA-5350f95a-1
0.283
JAN-GHE-1d98ec1c-8
0.282
JOH-UNI-0e1753c1-2
0.282
BEN-VAN-c986b20b-2
0.281
TAM-UNI-d1c3dd9f-17
0.281
BEN-DND-6de5dfa0-24
0.280
BEN-DND-6de5dfa0-22
0.280
JAN-GHE-1d98ec1c-1
0.279
SAD-SAT-581007d4-1
0.278
SAD-SAT-5b1897b2-8
0.278
STU-CHA-6d5cfe2b-1
0.278
JUL-TUD-06b2044f-57
0.278
BEN-VAN-c986b20b-1
0.278
BEN-VAN-c986b20b-15
0.278
JUL-TUD-06b2044f-128
0.278
ISA-SCH-8e98219b-3
0.277
SAD-SAT-65574d3f-10
0.277
BEN-DND-6de5dfa0-18
0.277
BEN-DND-362d364a-3
0.277
CHR-UNK-e061132b-1
0.277
CHR-UNK-b46452fc-1
0.277