Molecular Properties | |
SMILES: | O=C(c1cnccn1)N1CCC(Cc2ccccc2)CC1 |
MW: | 281.359 |
Fraction sp3: | 0.35 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 46.09 |
cLogP: | 2.5715 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine SCR: | Z30162439 |
Enamine REAL: | Z30162439 |
Enamine Extended REAL: | s_22____57765____58975 |
Mcule: | MCULE-4909297305 |
Mcule Ultimate: | PCZKHEUSHUQFST-UHFFFAOYSA-N |
MolPort: | MolPort-009-029-174 |
DRA-CSI-47e38074-2
0.561
DRA-CSI-47e38074-10
0.515
DRA-CSI-47e38074-5
0.500
DRA-CSI-47e38074-3
0.500
DRA-CSI-47e38074-12
0.500
DRA-CSI-47e38074-14
0.486
AAR-POS-fca48359-5
0.485
DRA-CSI-47e38074-13
0.479
DRA-CSI-47e38074-4
0.464
DRA-CSI-47e38074-16
0.441
DRA-CSI-47e38074-6
0.429
AAR-POS-fca48359-4
0.427
RED-RED-10c9212c-26
0.410
DRA-CSI-47e38074-9
0.407
DRA-CSI-47e38074-7
0.405
DRA-CSI-47e38074-15
0.405
MAT-POS-b5746674-16
0.392
DRA-CSI-47e38074-8
0.375
LON-WEI-4d77710c-54
0.348
MAT-POS-b5746674-107
0.348
LON-WEI-5e7d1b3e-54
0.348
DRV-UNK-dd7f8c68-9
0.340
DRV-UNK-64047f27-6
0.340
MAR-TRE-f6f5f473-48
0.337
MAK-UNK-212f693e-16
0.333
MAK-UNK-10dfa458-10
0.329
AUS-ARG-7cfdce8f-13
0.325
MAK-UNK-af83ef51-6
0.325
MAR-TRE-fd17a9b8-6
0.318
MAT-POS-ea426761-46
0.318
MAK-UNK-212f693e-35
0.311
MAK-UNK-212f693e-34
0.311
NAU-LAT-3f5f3993-3
0.310
MAK-UNK-10dfa458-40
0.309
MAK-UNK-212f693e-32
0.307
MIC-SGC-657978c3-5
0.294
BEN-DND-031a96cc-1
0.293
MIC-SGC-657978c3-7
0.289
GIA-UNK-995df016-10
0.286
GIA-UNK-595fac82-2
0.286
MIC-SGC-657978c3-3
0.284
GIA-UNK-5ec6c2b8-5
0.284
MIC-SGC-657978c3-1
0.282
RED-RED-10c9212c-54
0.280
NAU-LAT-3f5f3993-1
0.278
GIA-UNK-5ec6c2b8-3
0.278
SCO-CSI-e30c12ee-1
0.276
MIC-SGC-657978c3-4
0.276
DUN-NEW-f8ce3686-25
0.276
NIR-THE-0d6461ce-8
0.275
JON-UNI-bb9dc649-9
0.275
RED-RED-10c9212c-19
0.274
NIC-BIO-f814dd3d-1
0.273
MAK-UNK-194150d3-2
0.273
NAU-LAT-445f63e5-6
0.273
MIC-SGC-657978c3-2
0.271
WIL-LEE-23e8b574-1
0.270
SAN-PRS-52b81272-2
0.270
DUN-NEW-d8381160-1
0.267
BEN-DND-031a96cc-3
0.267
NAU-LAT-64f4b287-9
0.267
SAD-SAT-7d5528d9-18
0.267
NIR-THE-0d6461ce-4
0.267
SAD-SAT-29425be4-27
0.266
LON-WEI-120e5cf5-5
0.266
GIA-UNK-595fac82-3
0.266
LON-WEI-120e5cf5-11
0.265
WIL-UNI-5578df48-3
0.265
WIL-UNI-5578df48-11
0.265
ASH-UNK-40b46b30-9
0.264
GIA-UNK-5ec6c2b8-1
0.264
BEN-DND-031a96cc-2
0.264
FRA-FAC-9ed5a63a-2
0.263
MED-UNK-e6e8ef8a-2
0.263
GIA-UNK-995df016-11
0.263
MIC-SGC-657978c3-6
0.262
MAK-UNK-009ebe36-8
0.261
NIM-UNI-36e12f95-2
0.260
DRR-IMP-38dce17f-4
0.260
WJF-WAB-092bbb97-1
0.259
JUL-TUD-06b2044f-128
0.258
MAK-UNK-b2c98f02-9
0.258
DAR-DIA-6a49afbe-4
0.257
DAR-DIA-fc970077-1
0.257
SAD-SAT-b55127ae-4
0.256
DAR-DIA-fc970077-4
0.256
WIL-UNI-5578df48-8
0.256
ANT-DIA-3c79be55-5
0.256
MAR-TRE-fd17a9b8-3
0.255
MAT-POS-b5746674-19
0.255
JOH-IMS-62aeb97d-3
0.253
MAR-TRE-fd17a9b8-15
0.253
MAK-UNK-15efde89-1
0.253
GIA-UNK-595fac82-5
0.253
MAR-TRE-6a44bbf2-9
0.253
DAR-DIA-fc970077-7
0.253
NIC-BIO-25446079-2
0.253
NIM-UNI-bb9030bf-1
0.253
NAU-LAT-445f63e5-7
0.253
NIR-THE-0d6461ce-6
0.253