Molecular Properties | |
SMILES: | O=C(Cc1cncc(Cl)c1)Nc1cccnc1 |
MW: | 247.685 |
Fraction sp3: | 0.08 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 54.88 |
cLogP: | 2.3112 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDG-MED-0da5ad92-2
0.661
MAK-UNK-a7b37c5e-4
0.648
DAR-DIA-23aa0b97-17
0.633
SAD-SAT-24589cd1-4
0.600
SAN-PRS-52b81272-2
0.582
MAK-UNK-a7b37c5e-5
0.552
DAR-DIA-842b4336-10
0.542
MAK-UNK-ca11b4f7-1
0.538
DAR-DIA-23aa0b97-15
0.534
MAK-UNK-a7b37c5e-1
0.533
MAR-TRE-67513f76-81
0.529
DAR-DIA-842b4336-11
0.525
DAR-DIA-842b4336-13
0.525
TRY-UNI-2eddb1ff-2
0.524
EDG-MED-0da5ad92-8
0.524
CHA-MCP-85291e1d-2
0.523
JOH-IMS-62aeb97d-5
0.509
MAK-UNK-c749d764-17
0.508
ANN-UNI-26382800-5
0.508
CHA-MCP-85291e1d-1
0.493
CHA-MCP-85291e1d-5
0.493
MAK-UNK-a7b37c5e-2
0.492
MAK-UNK-c749d764-27
0.484
DAR-DIA-842b4336-14
0.477
ALE-HEI-f28a35b5-5
0.476
DAR-DIA-842b4336-12
0.476
MAK-UNK-c749d764-14
0.471
RAL-THA-2d450e86-30
0.471
DAR-DIA-842b4336-16
0.469
KAL-WAB-eb347ebe-1
0.463
MAR-TRE-7f7bb9f0-74
0.462
ALE-HEI-f28a35b5-14
0.458
AUS-ARG-7cfdce8f-11
0.452
MAK-UNK-c749d764-13
0.449
WAR-XCH-eb7b662f-3
0.443
DAR-DIA-842b4336-15
0.441
CHR-SOS-59746812-2
0.441
MAR-TRE-2fd8122f-39
0.440
CHR-SOS-f7373dd1-5
0.439
MAR-TRE-2fd8122f-37
0.437
MAR-TRE-9c797165-94
0.437
MAK-UNK-c749d764-23
0.437
CHR-SOS-59746812-6
0.435
MED-UNK-e6e8ef8a-6
0.431
DAR-DIA-23aa0b97-14
0.429
JAN-GHE-83b26c96-19
0.429
JOR-UNI-2fc98d0b-7
0.429
WAR-XCH-eb7b662f-7
0.429
MAR-TRE-9c797165-14
0.427
DAR-DIA-23aa0b97-6
0.426
MAR-TRE-d0525fbf-91
0.426
CHR-SOS-f7373dd1-2
0.426
WAR-XCH-eb7b662f-5
0.424
CHR-SOS-7098f804-11
0.424
MAR-TRE-67513f76-13
0.423
MAR-TRE-74c6519b-55
0.423
MAR-TRE-2fd8122f-99
0.423
CHR-SOS-7098f804-12
0.422
MAR-TRE-f6f5f473-95
0.421
AAR-POS-d2a4d1df-13
0.415
FRA-FAC-9ed5a63a-1
0.415
ALE-HEI-f28a35b5-9
0.415
MAR-TRE-04c86cea-97
0.414
MAR-TRE-3e4e6814-50
0.414
WIL-UNI-1faa9b10-8
0.413
MAK-UNK-d1e89583-1
0.413
MAK-UNK-ca11b4f7-2
0.411
MAK-UNK-ca11b4f7-3
0.411
WAR-XCH-eb7b662f-4
0.409
DAR-DIA-842b4336-8
0.409
MED-UNK-e6e8ef8a-5
0.409
CHR-SOS-59746812-1
0.408
WAR-XCH-6eb0722e-2
0.407
MAR-TRE-b77b7921-39
0.407
AAR-POS-d2a4d1df-11
0.407
DAR-DIA-23aa0b97-4
0.406
MAR-TRE-2fd8122f-57
0.406
BEN-DND-61647d40-17
0.406
WAR-XCH-6eb0722e-4
0.405
FRA-FAC-9ed5a63a-2
0.403
MED-UNK-e6e8ef8a-3
0.403
MED-UNK-e6e8ef8a-2
0.403
CHR-SOS-59746812-5
0.403
MAR-TRE-3e4e6814-65
0.403
WIL-UNI-5578df48-15
0.400
MAR-TRE-67513f76-69
0.400
MAR-TRE-67513f76-73
0.400
MAR-TRE-74c6519b-47
0.400
KEI-TRE-d5e2018a-89
0.400
MAK-UNK-d1e89583-7
0.400
MAK-UNK-d1e89583-9
0.400
ISA-SCH-8e98219b-4
0.400
JAN-GHE-5a013bed-9
0.400
MAR-TRE-67513f76-22
0.397
CHA-MCP-85291e1d-4
0.397
MAR-TRE-7f7bb9f0-49
0.397
EDG-MED-0da5ad92-13
0.397
MAR-TRE-74c6519b-68
0.395
MAR-TRE-67513f76-93
0.391
MED-UNK-e6e8ef8a-4
0.391