Molecular Properties | |
SMILES: | CCc1cc(-c2ccc(CN3CCN(C(C)=O)CC3)cc2Cl)ncn1 |
MW: | 358.873 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 49.33 |
cLogP: | 3.0235 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
BEN-VAN-c986b20b-4
0.718
BEN-VAN-c986b20b-3
0.700
BEN-VAN-c986b20b-10
0.566
BEN-VAN-c986b20b-2
0.506
BEN-VAN-c986b20b-1
0.500
BEN-VAN-c986b20b-11
0.466
BEN-VAN-c986b20b-15
0.429
BEN-VAN-c986b20b-13
0.404
BEN-VAN-c986b20b-7
0.400
BEN-VAN-c986b20b-17
0.400
BEN-VAN-c986b20b-16
0.400
BEN-VAN-c986b20b-8
0.398
JUL-TUD-06b2044f-85
0.393
BEN-VAN-c986b20b-18
0.372
KIM-UNI-2ee5d8f9-1
0.360
PAT-UNK-b2d83456-1
0.354
PAT-UNK-b2d83456-3
0.354
PAT-UNK-b2d83456-2
0.346
JAN-GHE-1d98ec1c-4
0.345
HEI-REL-0c990a45-4
0.344
WIL-LEE-23e8b574-4
0.342
WIL-LEE-23e8b574-2
0.342
JAN-GHE-1d98ec1c-8
0.341
BEN-VAN-c986b20b-6
0.340
MAK-UNK-6435e6c2-3
0.338
JAN-GHE-1d98ec1c-1
0.337
WIL-LEE-23e8b574-3
0.333
JAN-GHE-1d98ec1c-2
0.333
JAN-GHE-1d98ec1c-3
0.330
HEI-REL-0c990a45-5
0.326
JAN-GHE-fd8d85a5-1
0.326
MAK-UNK-7c9d1431-16
0.321
MAR-TRE-6a44bbf2-54
0.321
JOH-UNI-23d9e1b1-1
0.321
KIM-UNI-7d12df64-1
0.318
JAN-GHE-fd8d85a5-3
0.315
KIM-UNI-7d12df64-3
0.313
JOH-UNI-0e1753c1-3
0.312
MED-COV-4280ac29-15
0.312
AAR-POS-d2a4d1df-35
0.312
HYO-UNK-49a60884-1
0.312
AAR-POS-d2a4d1df-24
0.309
MAK-UNK-7c9d1431-18
0.307
JOH-UNI-0e1753c1-1
0.306
SAD-SAT-5b1897b2-5
0.306
BEN-VAN-c986b20b-9
0.299
MAK-UNK-7c9d1431-29
0.299
MAK-UNK-6435e6c2-2
0.299
BEN-VAN-d8fd1356-20
0.297
JAN-GHE-1d98ec1c-5
0.297
UNK-UNK-2ede4078-98
0.296
JOH-UNI-0e1753c1-2
0.296
MIH-UNI-6b9ca91a-9
0.295
JOK-SYG-18591e8f-1
0.294
SAD-SAT-581007d4-2
0.293
BEN-VAN-d8fd1356-21
0.292
MAK-UNK-849bee6c-15
0.291
MAK-UNK-7c9d1431-14
0.291
MAK-UNK-6ca90168-13
0.289
DRR-IMP-38dce17f-2
0.289
JAN-GHE-fd8d85a5-10
0.287
JAN-GHE-fd8d85a5-6
0.287
JAN-GHE-fd8d85a5-8
0.286
TAM-UNI-d1c3dd9f-5
0.284
MAK-UNK-6ca90168-14
0.284
DRR-IMP-38dce17f-7
0.284
JOH-UNK-14e6adc5-7
0.281
JOH-UNK-14e6adc5-8
0.280
PAU-UNI-8cdd41c7-1
0.278
SAD-SAT-1f400d17-6
0.278
DRR-IMP-38dce17f-6
0.278
JAN-GHE-fd8d85a5-2
0.278
KIM-UNI-7d12df64-2
0.278
TAM-UNI-d1c3dd9f-19
0.277
SAD-SAT-581007d4-7
0.277
MAT-POS-2db6411e-2
0.277
MAT-POS-ee51dedd-1
0.276
SEA-TRI-146a67b6-1
0.276
MAK-UNK-849bee6c-14
0.276
CHR-UNK-b46452fc-1
0.276
CHR-UNK-e061132b-1
0.276
JUL-TUD-06b2044f-116
0.275
MAK-UNK-849bee6c-7
0.274
BEN-DND-6de5dfa0-19
0.273
MAK-UNK-849bee6c-8
0.272
SEL-UNI-cd366922-8
0.272
JAN-GHE-fd8d85a5-9
0.272
TAM-UNI-d1c3dd9f-6
0.271
MAK-UNK-849bee6c-9
0.271
NIM-UNI-02269248-3
0.271
MAK-UNK-af83ef51-19
0.270
MAK-UNK-e4a48a85-18
0.269
MAK-UNK-7c9d1431-24
0.269
DRR-IMP-38dce17f-3
0.269
SEL-UNI-cd366922-7
0.269
BRU-LEF-ae0885ba-1
0.269
PAU-UNI-52c0427f-1
0.269
DAR-DIA-fb20be43-4
0.269
DRR-IMP-38dce17f-5
0.268
TAM-UNI-d1c3dd9f-12
0.268