Molecular Properties | |
SMILES: | Cc1cccc(CN2CCC(C#N)CC2)c1 |
MW: | 214.312 |
Fraction sp3: | 0.5 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 27.03 |
cLogP: | 2.7306 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z951437880 |
Enamine Extended REAL: | s_2230____2308274____680328 |
Mcule: | MCULE-8008988690 |
Mcule Ultimate: | XIRLTVLMIVTIKK-UHFFFAOYSA-N |
MolPort: | MolPort-008-548-387 |
AAR-POS-d2a4d1df-24
AAR-POS-d2a4d1df-24
0.492
MAK-UNK-af83ef51-11
0.475
RED-RED-10c9212c-24
0.420
MAK-UNK-af83ef51-10
0.414
MAK-UNK-e4a48a85-9
0.385
MAK-UNK-e4a48a85-17
0.367
MAK-UNK-10dfa458-10
0.358
MAK-UNK-af83ef51-6
0.353
PAT-UNK-b2d83456-1
0.348
MAK-UNK-e4a48a85-11
0.342
MAK-UNK-e4a48a85-16
0.340
UNK-UNK-2ede4078-98
0.338
MAK-UNK-3f402c2b-3
0.338
MAK-UNK-10dfa458-11
0.333
MAT-POS-ee51dedd-1
0.329
MAK-UNK-af83ef51-9
0.325
SAD-SAT-7d5528d9-21
0.324
MAK-UNK-af83ef51-7
0.321
MAK-UNK-10dfa458-12
0.321
MAK-UNK-af83ef51-5
0.320
MAK-UNK-af83ef51-8
0.319
MAK-UNK-e4a48a85-4
0.317
SAD-SAT-c989feaa-8
0.316
SAD-SAT-7d5528d9-18
0.316
STU-CHA-0be58c98-1
0.316
SAD-SAT-7d5528d9-24
0.316
GIA-UNK-595fac82-5
0.309
MAK-UNK-10dfa458-45
0.307
JOH-IMS-1436231f-6
0.306
AAR-POS-0daf6b7e-29
0.306
MAK-UNK-e4a48a85-15
0.306
JAG-UCB-ef2c0e8e-8
0.306
MAK-UNK-e4a48a85-6
0.303
GIA-UNK-5ec6c2b8-3
0.302
SAD-SAT-7d5528d9-13
0.301
MAK-UNK-cd94b63c-1
0.300
PAT-UNK-b2d83456-2
0.300
MAK-UNK-176ca439-3
0.300
MAK-UNK-e4a48a85-10
0.299
JOH-UNI-0e1753c1-3
0.299
HYO-UNK-49a60884-1
0.299
MED-COV-4280ac29-15
0.299
AAR-POS-d2a4d1df-35
0.299
JOK-SYG-18591e8f-1
0.296
SAD-SAT-7d5528d9-7
0.294
MAK-UNK-849bee6c-15
0.292
PAT-UNK-b2d83456-3
0.292
JOH-UNI-0e1753c1-1
0.292
MAK-UNK-e4a48a85-7
0.291
DRR-IMP-38dce17f-2
0.290
JOH-UNI-23d9e1b1-1
0.290
MAK-UNK-10799360-3
0.289
MAK-UNK-849bee6c-14
0.289
MAK-UNK-849bee6c-7
0.287
MAR-TRE-3e4e6814-51
0.287
MAK-UNK-af83ef51-20
0.286
MAR-TRE-f6f5f473-41
0.286
MAK-UNK-849bee6c-8
0.284
MAK-UNK-849bee6c-9
0.284
SAD-SAT-7d5528d9-11
0.284
SAD-SAT-7d5528d9-6
0.282
MAR-TRE-f6f5f473-49
0.282
JOH-ILL-da934517-4
0.282
MAK-UNK-e4a48a85-18
0.281
MAK-UNK-849bee6c-17
0.281
JAN-GHE-1d98ec1c-8
0.280
JOH-UNI-0e1753c1-2
0.279
MAK-UNK-849bee6c-6
0.279
MAR-TRE-3e4e6814-94
0.278
SAD-SAT-7d5528d9-16
0.275
MAK-UNK-e4a48a85-3
0.274
JOH-ILL-da934517-1
0.272
MAK-UNK-6ca90168-13
0.271
AHN-SAT-02ef6d10-10
0.271
SEA-TRI-ec70a9dd-1
0.271
JAN-GHE-1d98ec1c-2
0.270
WIL-LEE-23e8b574-3
0.270
AAR-POS-d2a4d1df-7
0.270
MAK-UNK-af83ef51-19
0.268
LON-WEI-5e7d1b3e-32
0.268
LON-WEI-4d77710c-32
0.268
MAK-UNK-849bee6c-4
0.267
MAK-UNK-849bee6c-12
0.267
MAK-UNK-849bee6c-16
0.267
DAV-SYG-f22c749d-3
0.267
MAK-UNK-849bee6c-3
0.267
MAK-UNK-849bee6c-13
0.267
MAK-UNK-a7992eb3-16
0.267
MAR-TRE-04c86cea-37
0.266
JOH-ILL-da934517-2
0.265
DRA-CSI-47e38074-12
0.265
MAK-UNK-849bee6c-5
0.264
CAM-STU-3ef21e73-1
0.264
JOH-ILL-da934517-3
0.263
DAV-SYG-f22c749d-9
0.263
MAK-UNK-3c359d2a-1
0.261
MAK-UNK-176ca439-4
0.261
DRA-CSI-0a78d9ba-13
0.261
MAK-UNK-af83ef51-21
0.260
VIT-UNK-2a0afa28-3
0.260