Molecular Properties | |
SMILES: | CN1CCN(C(=O)Nc2cccnc2)CC1 |
MW: | 220.276 |
Fraction sp3: | 0.45 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 48.47 |
cLogP: | 0.8609 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | FCH13488461 |
Enamine REAL: | Z166701880 |
Enamine Extended REAL: | s_2430____881164____740802 |
MolPort: | MolPort-037-598-419 |
SAD-SAT-2fd372d1-7
0.643
JOH-IMS-62aeb97d-4
0.630
AAR-POS-0daf6b7e-44
0.577
JOH-IMS-62aeb97d-3
0.552
ALE-HEI-f28a35b5-17
0.508
SCO-VAN-260d9628-1
0.508
MAR-TRE-9c797165-52
0.485
SAD-SAT-135344c3-7
0.473
SID-ELM-1f105489-9
0.456
MAK-UNK-ca11b4f7-3
0.453
DAR-DIA-842b4336-2
0.450
RED-RED-10c9212c-5
0.449
JOH-IMS-62aeb97d-5
0.444
MAR-TRE-67513f76-81
0.434
SID-ELM-1f105489-11
0.433
MAK-UNK-009ebe36-2
0.427
MAK-UNK-ca11b4f7-2
0.426
ALE-HEI-f28a35b5-14
0.424
SID-ELM-1f105489-12
0.423
SID-ELM-1f105489-17
0.423
DAR-DIA-842b4336-11
0.422
MAK-UNK-ca11b4f7-1
0.418
SAD-SAT-135344c3-9
0.410
MAR-TRE-d0525fbf-97
0.405
SID-ELM-1f105489-10
0.400
JOR-UNI-2fc98d0b-11
0.400
JOR-UNI-2fc98d0b-5
0.400
AAR-POS-d2a4d1df-11
0.397
THO-SYG-f9b2970d-2
0.395
JAN-GHE-4287bd1a-9
0.394
DAR-DIA-842b4336-1
0.393
MAR-TRE-67513f76-73
0.391
LON-WEI-120e5cf5-11
0.391
MAR-TRE-4b834d9a-49
0.387
ALE-MCD-4ac17b19-1
0.387
JOH-IMS-62aeb97d-2
0.385
MAR-TRE-67513f76-51
0.385
SAD-SAT-689b7d5a-9
0.382
MAR-TRE-2fd8122f-27
0.381
JOR-UNI-61e7b1d5-14
0.381
JOR-UNI-61e7b1d5-28
0.381
MAK-UNK-d1e89583-1
0.381
SID-ELM-1f105489-16
0.380
SID-ELM-1f105489-14
0.380
DAR-DIA-842b4336-7
0.379
DAR-DIA-842b4336-12
0.379
MED-UNK-e6e8ef8a-1
0.379
MED-UNK-e6e8ef8a-6
0.379
MED-UNK-e6e8ef8a-7
0.379
MAR-TRE-2fd8122f-90
0.378
WIL-UNI-5578df48-2
0.377
ALE-HEI-f28a35b5-15
0.377
FRA-FAC-9ed5a63a-4
0.377
ANT-DIA-3c79be55-4
0.377
ANU-UNK-2781581f-2
0.377
MAR-TRE-67513f76-13
0.375
WAR-XCH-eb7b662f-6
0.375
JAG-UCB-a3ef7265-7
0.375
ANT-DIA-3c79be55-5
0.375
DAR-DIA-842b4336-3
0.375
MED-UNK-e6e8ef8a-3
0.373
DAR-DIA-842b4336-16
0.373
RED-SAT-26a928c9-1
0.372
ANU-UNK-2781581f-1
0.372
MAR-TRE-3e4e6814-93
0.371
SAN-PRS-52b81272-3
0.371
SAN-PRS-52b81272-2
0.371
JOR-UNI-61e7b1d5-15
0.371
SAD-SAT-135344c3-8
0.370
MAR-TRE-67513f76-20
0.370
MAR-TRE-4b834d9a-31
0.370
ALE-HEI-f28a35b5-8
0.369
DAR-DIA-842b4336-10
0.369
MAR-TRE-74c6519b-42
0.368
JOR-UNI-61e7b1d5-29
0.367
SAD-SAT-689b7d5a-4
0.366
MAK-UNK-2c1752f0-4
0.365
WAR-XCH-eb7b662f-3
0.365
SAD-SAT-24589cd1-4
0.365
SID-ELM-1f105489-13
0.365
SID-ELM-1f105489-15
0.365
ALE-HEI-f28a35b5-4
0.364
MAK-UNK-c749d764-17
0.364
MAK-UNK-d1e89583-2
0.364
AAR-POS-d2a4d1df-13
0.364
ALE-HEI-f28a35b5-9
0.364
JOH-IMS-62aeb97d-1
0.364
FRA-FAC-9ed5a63a-1
0.364
MAR-TRE-2fd8122f-67
0.364
MAR-TRE-3e4e6814-92
0.362
BAR-COM-4e090d3a-24
0.362
SAD-SAT-cefd50cc-1
0.362
MED-UNK-e6e8ef8a-4
0.362
MAR-TRE-9c797165-80
0.362
DAR-DIA-03336633-8
0.361
MAR-TRE-d0525fbf-90
0.361
KEI-TRE-d5e2018a-32
0.360
MAR-TRE-3e4e6814-34
0.360
MAK-UNK-a7b37c5e-4
0.359
DAR-DIA-23aa0b97-15
0.359