Molecular Properties | |
SMILES: | CC(=O)N1CCN(CNC(=N)Nc2csc(Cl)c2)CC1 |
MW: | 315.83 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 71.46 |
cLogP: | 1.45937 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
imine
imine
Methylendiamines (2)
acyclic N-C-N
Imine 3
AAR-POS-d2a4d1df-11
ISA-SCH-8e98219b-2
0.540
ISA-SCH-8e98219b-4
0.357
KIM-UNI-7d12df64-3
0.342
BEN-DND-6de5dfa0-26
0.338
MAK-UNK-6435e6c2-3
0.333
BEN-DND-6de5dfa0-19
0.329
RIC-ARG-a8e88843-7
0.325
KIM-UNI-2ee5d8f9-1
0.319
BEN-DND-6de5dfa0-18
0.316
MAK-UNK-6435e6c2-2
0.309
BEN-DND-6de5dfa0-22
0.303
WIL-LEE-23e8b574-2
0.301
MAK-UNK-d1e89583-7
0.301
MAK-UNK-e4a48a85-2
0.298
JAN-GHE-1d98ec1c-7
0.296
LON-WEI-b8d98729-4
0.296
WIL-LEE-23e8b574-3
0.295
KIM-UNI-7d12df64-1
0.295
MAK-UNK-212f693e-5
0.294
BEN-DND-6de5dfa0-23
0.293
NIM-UNI-ed9fc491-1
0.291
BEN-DND-6de5dfa0-24
0.286
BEN-DND-6de5dfa0-21
0.284
MAK-UNK-e4a48a85-1
0.284
BEN-DND-6de5dfa0-20
0.284
EDJ-MED-3c65e9ce-3
0.282
EDJ-MED-3c65e9ce-1
0.282
BEN-DND-93268d01-8
0.282
JAN-GHE-fd8d85a5-3
0.277
MAR-TRE-6a44bbf2-12
0.276
BEN-DND-6de5dfa0-17
0.275
JAN-GHE-fd8d85a5-12
0.275
JAN-GHE-fd8d85a5-1
0.272
AAR-POS-0daf6b7e-21
0.271
BEN-VAN-c986b20b-16
0.271
BEN-VAN-c986b20b-10
0.271
JOH-UNI-27ac80fd-1
0.268
WIL-LEE-23e8b574-4
0.267
JAN-GHE-1d98ec1c-9
0.265
PAT-UNK-b2d83456-1
0.263
JAN-GHE-1d98ec1c-2
0.263
JAN-GHE-fd8d85a5-10
0.263
BEN-DND-6de5dfa0-25
0.263
MAK-UNK-176ca439-1
0.263
NAU-LAT-a5c7d7cb-1
0.262
DAV-CRI-d1e0885a-6
0.262
ALP-POS-6747fa38-1
0.262
NIR-THE-d08c3b48-1
0.262
BEN-DND-6de5dfa0-11
0.262
VLA-UCB-05e51b3f-1
0.262
MED-COV-dea4df70-1
0.262
EDJ-MED-3c65e9ce-2
0.262
HEI-REL-0c990a45-5
0.261
NIY-UNK-62612a68-4
0.260
JAN-GHE-1d98ec1c-5
0.259
BEN-VAN-d8fd1356-20
0.259
MAK-UNK-902cc841-2
0.258
SAD-SAT-bc31ec01-1
0.257
PAT-UNK-b2d83456-2
0.256
JOH-UNK-14e6adc5-7
0.256
BEN-VAN-c986b20b-3
0.256
ALE-MCD-a1893bfb-1
0.254
MAR-TRE-6a44bbf2-47
0.253
WIL-LEE-23e8b574-8
0.253
KIM-UNI-7d12df64-2
0.253
JAN-GHE-1d98ec1c-6
0.253
BEN-VAN-d8fd1356-21
0.253
CHR-UNK-b46452fc-1
0.253
MAK-UNK-902cc841-1
0.253
CHR-UNK-e061132b-1
0.253
MAK-UNK-6ca90168-19
0.250
PAU-UNI-8cdd41c7-1
0.250
MAK-UNK-212f693e-14
0.250
NAU-LAT-a5c7d7cb-6
0.250
TAT-ENA-80bfd3e5-30
0.250
PAT-UNK-b2d83456-3
0.250
HEI-REL-0c990a45-4
0.250
BEN-VAN-c986b20b-5
0.247
JAN-GHE-fd8d85a5-9
0.247
JAN-GHE-fd8d85a5-8
0.247
JAN-GHE-1d98ec1c-3
0.247
TAM-UNI-d1c3dd9f-16
0.247
NEH-REV-107bcf72-5
0.247
SAD-SAT-5b1897b2-2
0.247
ASH-SAT-43770c7d-5
0.247
VLA-UCB-05e51b3f-3
0.245
NIM-UNI-ed9fc491-2
0.244
PAT-UNK-b2d83456-4
0.244
BEN-DND-6de5dfa0-6
0.244
STE-UNK-13e151dd-1
0.244
BEN-DND-6de5dfa0-27
0.244
JON-UNI-bb9dc649-4
0.244
WIL-LEE-23e8b574-7
0.244
AAR-POS-0daf6b7e-13
0.243
MAK-UNK-212f693e-8
0.243
LON-WEI-8f408cad-7
0.243
JOH-UNI-27ac80fd-31
0.243
JAN-GHE-fd8d85a5-2
0.242
BEN-VAN-c986b20b-2
0.241
TAM-UNI-d1c3dd9f-18
0.241