Molecular Properties | |
SMILES: | O=C(Cc1ccccc1Cl)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 SCR: | Z31792179 |
Enamine REAL: | Z31792179 |
Enamine Extended REAL: | s_22____57778____60003 |
Mcule: | MCULE-7847966680 |
Mcule Ultimate: | LZXAQBMRNVMKJW-UHFFFAOYSA-N |
MolPort: | MolPort-002-287-364 |
AAR-POS-0daf6b7e-27
MAK-UNK-a7b37c5e-2
0.621
MAK-UNK-a7b37c5e-4
0.561
MAK-UNK-c749d764-17
0.559
SAN-PRS-52b81272-2
0.554
DAR-DIA-842b4336-13
0.550
MAK-UNK-d1e89583-8
0.547
MAK-UNK-ca11b4f7-1
0.538
DAR-DIA-23aa0b97-16
0.533
MAK-UNK-c749d764-27
0.532
MAR-TRE-67513f76-81
0.529
EDG-MED-0da5ad92-2
0.525
MAK-UNK-c749d764-23
0.522
SAD-SAT-24589cd1-4
0.517
MAK-UNK-c749d764-13
0.515
JOH-IMS-62aeb97d-5
0.509
MAK-UNK-a7b37c5e-5
0.500
MAK-UNK-c749d764-14
0.493
DAR-DIA-842b4336-10
0.492
KAL-WAB-eb347ebe-1
0.485
DAR-DIA-842b4336-12
0.476
DAR-DIA-842b4336-11
0.476
ALE-HEI-f28a35b5-5
0.476
AUS-ARG-7cfdce8f-11
0.475
DAR-DIA-842b4336-16
0.469
DAR-DIA-842b4336-15
0.463
MAR-TRE-7f7bb9f0-74
0.462
MAR-TRE-3e4e6814-54
0.461
ALE-HEI-f28a35b5-14
0.458
RAL-THA-2d450e86-36
0.456
DAR-DIA-842b4336-14
0.455
KEI-TRE-d5e2018a-56
0.449
MAR-TRE-67513f76-13
0.443
MAR-TRE-74c6519b-55
0.443
ANN-UNI-26382800-5
0.441
DAR-DIA-23aa0b97-17
0.441
MAR-TRE-74c6519b-47
0.441
MAR-TRE-7f7bb9f0-49
0.439
MAR-TRE-9c797165-94
0.437
MAR-TRE-b77b7921-91
0.437
CHA-MCP-85291e1d-2
0.435
MAR-TRE-67513f76-93
0.433
MAK-UNK-d1e89583-6
0.433
AAR-POS-d2a4d1df-11
0.431
MAD-FNM-74857450-1
0.430
CHA-MCP-85291e1d-5
0.429
MAR-TRE-d0525fbf-91
0.426
MAK-UNK-d1e89583-3
0.426
MAR-TRE-2fd8122f-99
0.423
MAK-UNK-d1e89583-4
0.422
MAR-TRE-2fd8122f-37
0.417
JOH-IMS-62aeb97d-2
0.415
FRA-FAC-9ed5a63a-1
0.415
AAR-POS-d2a4d1df-13
0.415
ALE-HEI-f28a35b5-9
0.415
DAR-DIA-23aa0b97-15
0.413
MAK-UNK-d1e89583-1
0.413
MAR-TRE-7f7bb9f0-56
0.412
MAK-UNK-d1e89583-5
0.412
MED-UNK-e6e8ef8a-4
0.412
CHA-MCP-85291e1d-1
0.411
MAK-UNK-ca11b4f7-2
0.411
MAK-UNK-ca11b4f7-3
0.411
MED-UNK-e6e8ef8a-5
0.409
MED-UNK-e6e8ef8a-6
0.409
MAR-TRE-9c797165-14
0.408
DUN-NEW-f8ce3686-9
0.407
MAR-TRE-b77b7921-39
0.407
CHR-SOS-70e4c98a-6
0.406
MAR-TRE-2fd8122f-57
0.406
FRA-FAC-9ed5a63a-2
0.403
MED-UNK-e6e8ef8a-2
0.403
MED-UNK-e6e8ef8a-3
0.403
MAR-TRE-74c6519b-91
0.403
KEI-TRE-d5e2018a-89
0.400
ISA-SCH-8e98219b-4
0.400
MAK-UNK-d1e89583-7
0.400
CHR-SOS-f7373dd1-4
0.400
WIL-UNI-5578df48-15
0.400
MAR-TRE-67513f76-69
0.400
MAR-TRE-67513f76-73
0.400
LON-WEI-120e5cf5-11
0.400
KEI-TRE-d5e2018a-54
0.397
SAD-SAT-135344c3-3
0.397
MAR-TRE-74c6519b-54
0.397
CHR-SOS-f7373dd1-5
0.397
WAR-XCH-eb7b662f-3
0.397
WIL-UNI-1faa9b10-8
0.395
CHR-SOS-70e4c98a-8
0.394
JIA-UNI-12b1f9ae-1
0.394
MAR-TRE-7f7bb9f0-90
0.394
MAR-TRE-04c86cea-97
0.394
MAK-UNK-d1e89583-2
0.394
MAR-TRE-4b834d9a-59
0.392
MAR-TRE-9c797165-8
0.392
MAR-TRE-2fd8122f-27
0.391
MAR-TRE-2fd8122f-53
0.390
CHR-SOS-59746812-1
0.389
CHR-SOS-f7373dd1-1
0.389
MAR-TRE-9c797165-52
0.389
MAR-TRE-67513f76-87
0.389