Molecular Properties | |
SMILES: | CC(=O)N1CCN(CC2=CC=CC3N=C(CCN)C=C23)CC1 |
MW: | 300.406 |
Fraction sp3: | 0.53 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 61.93 |
cLogP: | 0.745100000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
VIC-UNI-33d4332f-1
0.761
KIM-UNI-7d12df64-3
0.333
KIM-UNI-7d12df64-1
0.306
JAN-GHE-fd8d85a5-8
0.303
PAT-UNK-b2d83456-4
0.298
WIL-LEE-23e8b574-4
0.296
WIL-LEE-23e8b574-2
0.296
KIM-UNI-2ee5d8f9-1
0.295
PAT-UNK-b2d83456-3
0.294
JAN-GHE-1d98ec1c-2
0.291
JAN-GHE-fd8d85a5-10
0.291
WIL-LEE-23e8b574-3
0.291
MAK-UNK-6435e6c2-3
0.289
JAN-GHE-fd8d85a5-9
0.289
BEN-VAN-c986b20b-4
0.287
MAK-UNK-6435e6c2-2
0.286
BEN-VAN-c986b20b-2
0.283
BEN-VAN-c986b20b-16
0.283
KIM-UNI-7d12df64-2
0.281
PAT-UNK-b2d83456-1
0.277
JAN-GHE-fd8d85a5-3
0.275
JAN-GHE-1d98ec1c-5
0.272
JAN-GHE-1d98ec1c-8
0.270
JAN-GHE-fd8d85a5-1
0.270
JOH-UNK-14e6adc5-7
0.270
BEN-VAN-c986b20b-17
0.269
JAN-GHE-1d98ec1c-1
0.267
BEN-VAN-c986b20b-15
0.266
BEN-VAN-c986b20b-13
0.265
JAN-GHE-fd8d85a5-6
0.263
JAN-GHE-1d98ec1c-3
0.261
NIM-UNI-02269248-3
0.260
BEN-VAN-c986b20b-5
0.260
BEN-DND-6de5dfa0-23
0.259
BEN-VAN-d8fd1356-20
0.258
MIH-UNI-6b9ca91a-9
0.258
PAT-UNK-b2d83456-2
0.256
BEN-VAN-c986b20b-3
0.255
HEI-REL-0c990a45-2
0.255
JOH-UNK-14e6adc5-8
0.255
JAN-GHE-fd8d85a5-2
0.255
DUN-NEW-f8ce3686-24
0.255
BEN-VAN-c986b20b-11
0.255
BEN-VAN-d8fd1356-21
0.253
BEN-VAN-c986b20b-1
0.253
HEI-REL-0c990a45-4
0.250
BEN-VAN-c986b20b-6
0.250
BEN-VAN-c986b20b-7
0.250
HEI-REL-0c990a45-5
0.247
EDJ-MED-3c65e9ce-2
0.247
BEN-VAN-d8fd1356-24
0.247
JAN-GHE-1d98ec1c-4
0.247
BEN-DND-6de5dfa0-19
0.247
WIL-LEE-23e8b574-7
0.244
JAN-GHE-6413aaf8-5
0.243
BEN-VAN-c986b20b-10
0.242
TAM-UNI-d1c3dd9f-18
0.242
DRR-IMP-38dce17f-5
0.241
BEN-DND-6de5dfa0-26
0.239
BEN-DND-6de5dfa0-24
0.239
STU-CHA-0f79177c-1
0.238
MAK-UNK-7c9d1431-29
0.237
BEN-DND-6de5dfa0-18
0.236
BEN-DND-93268d01-8
0.236
EDJ-MED-3c65e9ce-1
0.236
PAT-UNK-b2d83456-5
0.235
JOH-MSK-d60b0211-1
0.235
PAU-UNI-8cdd41c7-1
0.235
NAU-LAT-a5c7d7cb-1
0.234
VLA-UCB-05e51b3f-1
0.234
ALP-POS-6747fa38-1
0.234
MED-COV-4280ac29-37
0.234
BEN-DND-6de5dfa0-11
0.234
NIR-THE-d08c3b48-1
0.234
TAT-ENA-80bfd3e5-20
0.233
AAR-POS-d2a4d1df-41
0.233
SAD-SAT-5b1897b2-2
0.233
STE-UNK-13e151dd-1
0.232
BEN-DND-6de5dfa0-6
0.232
BEN-DND-6de5dfa0-27
0.231
ISA-SCH-8e98219b-2
0.230
JON-UNI-bb9dc649-4
0.230
JOH-UNI-27ac80fd-39
0.229
JAN-GHE-6413aaf8-7
0.229
MIH-UNI-e573136b-5
0.228
CHR-UNK-b46452fc-1
0.228
CHR-UNK-e061132b-1
0.228
MAK-UNK-7c9d1431-21
0.227
HEI-REL-0c990a45-1
0.227
SEL-UNI-cd366922-8
0.226
DRR-IMP-38dce17f-7
0.226
MAK-UNK-6ca90168-14
0.226
BEN-DND-6de5dfa0-20
0.226
BEN-DND-6de5dfa0-21
0.226
BEN-DND-6de5dfa0-22
0.225
JOO-IND-6372a4f3-5
0.223
JAN-GHE-1d98ec1c-7
0.223
LON-WEI-b8d98729-4
0.223
NAU-LAT-3f5f3993-4
0.223
TAM-UNI-d1c3dd9f-20
0.223