Molecular Properties | |
SMILES: | O=C(Cc1ccc(Cl)cc1)Nc1cccnc1 |
MW: | 246.06 |
Fraction sp3: | 0.08 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 2.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z31791685 |
Enamine Extended REAL: | s_22____57778____59008 |
Mcule: | MCULE-7268421825 |
Mcule Ultimate: | RYKWISYLDAUBJQ-UHFFFAOYSA-N |
MolPort: | MolPort-000-536-700 |
AAR-POS-0daf6b7e-27
MAK-UNK-a7b37c5e-5
0.706
SAN-PRS-52b81272-2
0.680
DAR-DIA-23aa0b97-16
0.648
EDG-MED-0da5ad92-2
0.636
SAD-SAT-24589cd1-4
0.604
MAK-UNK-ca11b4f7-1
0.571
DAR-DIA-842b4336-10
0.571
MAR-TRE-67513f76-81
0.562
MAK-UNK-a7b37c5e-1
0.561
DAR-DIA-842b4336-11
0.552
DAR-DIA-842b4336-13
0.552
JOH-IMS-62aeb97d-5
0.540
MAK-UNK-c749d764-17
0.534
MAR-TRE-7f7bb9f0-74
0.533
ALE-HEI-f28a35b5-5
0.525
DAR-DIA-842b4336-14
0.525
MAK-UNK-a7b37c5e-2
0.517
MAK-UNK-c749d764-27
0.508
DAR-DIA-23aa0b97-17
0.508
ANN-UNI-26382800-5
0.508
DAR-DIA-842b4336-12
0.500
CHA-MCP-85291e1d-2
0.500
CHA-MCP-85291e1d-5
0.492
MAK-UNK-c749d764-13
0.492
DAR-DIA-842b4336-16
0.492
WIL-UNI-5578df48-15
0.484
DAR-DIA-23aa0b97-15
0.483
ALE-HEI-f28a35b5-14
0.482
AUS-ARG-7cfdce8f-11
0.475
CHA-MCP-85291e1d-1
0.471
MAK-UNK-c749d764-14
0.470
MAR-TRE-2fd8122f-99
0.463
KAL-WAB-eb347ebe-1
0.462
DAR-DIA-842b4336-15
0.462
MAK-UNK-c749d764-23
0.456
MAR-TRE-9c797165-94
0.456
MED-UNK-e6e8ef8a-6
0.452
MAR-TRE-9c797165-14
0.444
CHR-SOS-7098f804-11
0.444
MAR-TRE-67513f76-13
0.441
MAR-TRE-74c6519b-55
0.441
WAR-XCH-eb7b662f-3
0.441
MAR-TRE-3e4e6814-65
0.438
MAR-TRE-2fd8122f-39
0.438
MAR-TRE-f6f5f473-95
0.438
CHR-SOS-f7373dd1-5
0.438
FRA-FAC-9ed5a63a-1
0.435
AAR-POS-d2a4d1df-13
0.435
ALE-HEI-f28a35b5-9
0.435
MAR-TRE-2fd8122f-37
0.435
MAK-UNK-ca11b4f7-2
0.434
MAK-UNK-ca11b4f7-3
0.434
MAK-UNK-d1e89583-1
0.433
RAL-THA-2d450e86-2
0.433
WIL-UNI-1faa9b10-8
0.431
MED-UNK-e6e8ef8a-5
0.429
AAR-POS-d2a4d1df-11
0.429
KEI-TRE-d5e2018a-91
0.427
JAN-GHE-83b26c96-19
0.426
JOR-UNI-2fc98d0b-7
0.426
WAR-XCH-eb7b662f-7
0.426
DAR-DIA-23aa0b97-14
0.426
CHR-SOS-f7373dd1-2
0.424
MAR-TRE-d0525fbf-91
0.424
FRA-FAC-9ed5a63a-2
0.422
MED-UNK-e6e8ef8a-2
0.422
MED-UNK-e6e8ef8a-3
0.422
CHR-SOS-7098f804-12
0.419
MAR-TRE-74c6519b-47
0.418
CHR-SOS-59746812-2
0.418
MAR-TRE-67513f76-73
0.418
MAR-TRE-7f7bb9f0-46
0.418
MAR-TRE-2fd8122f-23
0.416
MAR-TRE-67513f76-69
0.416
KEI-TRE-d5e2018a-84
0.416
MAR-TRE-7f7bb9f0-49
0.415
MAR-TRE-67513f76-22
0.413
MAR-TRE-3e4e6814-50
0.412
MAR-TRE-04c86cea-97
0.412
CHR-SOS-59746812-6
0.412
KEI-TRE-d5e2018a-6
0.410
MAR-TRE-2fd8122f-9
0.410
MAR-TRE-7f7bb9f0-84
0.410
MAR-TRE-7f7bb9f0-56
0.409
MAR-TRE-67513f76-93
0.409
MED-UNK-e6e8ef8a-4
0.409
MAK-UNK-d1e89583-6
0.409
WIL-UNI-5578df48-2
0.407
ALE-HEI-f28a35b5-15
0.407
WAR-XCH-eb7b662f-4
0.406
CHR-SOS-7098f804-14
0.406
CHR-SOS-59746812-1
0.406
MAR-TRE-b77b7921-39
0.405
MAR-TRE-2fd8122f-53
0.405
DAR-DIA-842b4336-4
0.403
CHR-SOS-70e4c98a-6
0.403
MAK-UNK-d1e89583-3
0.403
ANT-DIA-3c79be55-4
0.403
MAR-TRE-2fd8122f-57
0.403
MAR-TRE-2fd8122f-78
0.403