Molecular Properties | |
SMILES: | CC(=O)NCCC1=NC2C=CC=C(CN3CCN(C(C)=O)CC3)C2=C1 |
MW: | 342.443 |
Fraction sp3: | 0.53 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 65.01 |
cLogP: | 0.9225 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
VIC-UNI-33d4332f-2
0.761
WIL-LEE-23e8b574-2
0.392
WIL-LEE-23e8b574-3
0.381
PAT-UNK-b2d83456-4
0.380
DUN-NEW-f8ce3686-24
0.330
KIM-UNI-7d12df64-3
0.329
JAN-GHE-6413aaf8-5
0.317
PAT-UNK-b2d83456-5
0.310
JOH-MSK-d60b0211-1
0.310
JAN-GHE-fd8d85a5-8
0.301
DAR-DIA-fb20be43-13
0.298
SEL-UNI-cd366922-8
0.298
TAM-UNI-d1c3dd9f-20
0.297
DAR-DIA-fb20be43-10
0.291
DUN-NEW-f8ce3686-11
0.290
KIM-UNI-7d12df64-1
0.289
JAN-GHE-fd8d85a5-10
0.289
JAN-GHE-fd8d85a5-3
0.287
JAN-GHE-fd8d85a5-9
0.287
MAK-UNK-6435e6c2-2
0.284
KIM-UNI-7d12df64-2
0.280
NAU-LAT-f723e322-1
0.279
DAR-DIA-fb20be43-11
0.279
JOK-SYG-302da050-1
0.279
STU-CHA-bc0a9883-1
0.279
DAR-DIA-fb20be43-15
0.279
PAT-UNK-b2d83456-3
0.278
KIM-UNI-2ee5d8f9-1
0.277
NAU-LAT-f723e322-2
0.276
BEN-VAN-c986b20b-4
0.273
MAK-UNK-6435e6c2-3
0.272
JAN-GHE-fd8d85a5-1
0.269
BEN-VAN-c986b20b-16
0.268
BEN-VAN-c986b20b-2
0.268
TAM-UNI-d1c3dd9f-18
0.268
TAM-UNI-d1c3dd9f-19
0.267
BEN-VAN-c986b20b-13
0.265
WIL-LEE-23e8b574-4
0.264
JAN-GHE-fd8d85a5-6
0.263
PAT-UNK-b2d83456-1
0.261
BEN-DND-6de5dfa0-19
0.261
JAN-GHE-1d98ec1c-2
0.261
BEN-VAN-c986b20b-5
0.260
JOK-SYG-b9f02a42-1
0.259
DAR-DIA-fb20be43-14
0.259
BEN-DND-6de5dfa0-23
0.258
MAK-UNK-176ca439-2
0.257
JOH-UNK-14e6adc5-7
0.255
BEN-VAN-c986b20b-3
0.255
BEN-VAN-c986b20b-17
0.255
JAN-GHE-fd8d85a5-2
0.255
JOK-SYG-b9f02a42-2
0.255
BEN-DND-6de5dfa0-26
0.253
BEN-VAN-c986b20b-1
0.253
JOK-SYG-b9f02a42-3
0.252
NIR-THE-0d6461ce-2
0.250
JOO-PER-d7ab4f65-1
0.250
NIR-THE-0d6461ce-3
0.248
EDJ-MED-3c65e9ce-2
0.247
JAN-GHE-1d98ec1c-3
0.247
JAN-GHE-1d98ec1c-5
0.245
STE-UNK-13e151dd-1
0.245
ISA-SCH-8e98219b-2
0.244
BEN-VAN-c986b20b-11
0.243
JOH-UNK-14e6adc5-8
0.242
JAN-GHE-1d98ec1c-8
0.242
PAT-UNK-b2d83456-2
0.242
DRR-IMP-38dce17f-5
0.241
SAM-UNK-903735bd-1
0.240
BEN-VAN-c986b20b-15
0.240
JAN-GHE-1d98ec1c-1
0.240
BEN-VAN-d8fd1356-21
0.240
BEN-DND-6de5dfa0-24
0.239
BEN-VAN-c986b20b-6
0.238
BEN-VAN-c986b20b-7
0.238
HAN-NEW-5f56c3bc-4
0.237
BEN-DND-93268d01-8
0.237
EDJ-MED-3c65e9ce-1
0.237
ISA-SCH-8e98219b-3
0.237
BEN-DND-6de5dfa0-18
0.237
JAN-GHE-fd8d85a5-12
0.236
PAU-UNI-8cdd41c7-1
0.235
NIM-UNI-02269248-3
0.235
NIM-UNI-ed9fc491-1
0.235
JAN-GHE-6413aaf8-8
0.235
NAU-LAT-a5c7d7cb-1
0.235
NIR-THE-d08c3b48-1
0.235
VLA-UCB-05e51b3f-1
0.235
TAM-UNI-d1c3dd9f-16
0.235
MED-COV-4280ac29-37
0.235
ALP-POS-6747fa38-1
0.235
BEN-DND-6de5dfa0-11
0.235
BEN-VAN-d8fd1356-24
0.235
DAV-CRI-d1e0885a-6
0.235
AAR-POS-d2a4d1df-41
0.234
TAT-ENA-80bfd3e5-20
0.234
MAK-UNK-176ca439-1
0.234
SAD-SAT-5b1897b2-2
0.233
MAK-UNK-be5ffcbc-2
0.233
MIH-UNI-6b9ca91a-9
0.233