Molecular Properties | |
SMILES: | O=C(Cc1cncnc1)Nc1cccnc1 |
MW: | 214.09 |
Fraction sp3: | 0.09 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 67.77 |
cLogP: | 1.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1937730310 |
Enamine Extended REAL: | s_22____57778____13540170 |
Mcule Ultimate: | KJVPKGLITPEXHM-UHFFFAOYSA-N |
AAR-POS-0daf6b7e-27
SAN-PRS-52b81272-2
0.627
MAK-UNK-a7b37c5e-5
0.623
MAK-UNK-a7b37c5e-4
0.604
DAR-DIA-23aa0b97-16
0.600
DAR-DIA-842b4336-10
0.582
MAR-TRE-67513f76-81
0.574
MAK-UNK-c749d764-17
0.571
DAR-DIA-842b4336-11
0.561
EDG-MED-0da5ad92-2
0.561
JOH-IMS-62aeb97d-5
0.551
MAK-UNK-ca11b4f7-1
0.551
DAR-DIA-23aa0b97-17
0.541
MAK-UNK-a7b37c5e-2
0.525
MAK-UNK-a7b37c5e-1
0.517
MAK-UNK-c749d764-27
0.517
ANN-UNI-26382800-5
0.516
DAR-DIA-842b4336-13
0.508
ALE-HEI-f28a35b5-5
0.508
DAR-DIA-842b4336-12
0.508
CHA-MCP-85291e1d-2
0.508
DAR-DIA-842b4336-16
0.500
CHA-MCP-85291e1d-5
0.500
KAL-WAB-eb347ebe-1
0.492
ALE-HEI-f28a35b5-14
0.491
BAR-COM-4e090d3a-39
0.485
RAL-MED-2de63afb-12
0.484
SAD-SAT-24589cd1-2
0.484
DAR-DIA-842b4336-14
0.484
AUS-ARG-7cfdce8f-11
0.483
CHA-MCP-85291e1d-1
0.478
MAK-UNK-c749d764-13
0.477
MAK-UNK-c749d764-14
0.477
MAR-TRE-d0525fbf-91
0.476
DAR-DIA-842b4336-15
0.469
CHR-SOS-59746812-2
0.469
CHR-SOS-f7373dd1-5
0.468
RAL-MED-2de63afb-3
0.464
MAK-UNK-c749d764-23
0.463
CHR-SOS-59746812-6
0.462
RAL-MED-2de63afb-13
0.457
RAL-MED-2de63afb-7
0.456
BAR-COM-4e090d3a-11
0.456
CHR-SOS-f7373dd1-2
0.453
MED-UNK-e6e8ef8a-3
0.452
MED-UNK-e6e8ef8a-2
0.452
FRA-FAC-9ed5a63a-2
0.452
MAR-TRE-67513f76-13
0.448
MAR-TRE-74c6519b-55
0.448
MAR-TRE-2fd8122f-99
0.448
ADA-UCB-b1b30a00-3
0.444
MAR-TRE-2fd8122f-39
0.444
AAR-POS-d2a4d1df-13
0.443
ALE-HEI-f28a35b5-9
0.443
FRA-FAC-9ed5a63a-1
0.443
MAK-UNK-ca11b4f7-2
0.442
MAK-UNK-ca11b4f7-3
0.442
MAR-TRE-2fd8122f-37
0.441
MAR-TRE-9c797165-94
0.441
ALE-HEI-f28a35b5-15
0.439
MAR-TRE-7f7bb9f0-56
0.438
MAR-TRE-c317dd82-59
0.437
RAL-MED-2de63afb-8
0.437
AAR-POS-d2a4d1df-11
0.436
MED-UNK-e6e8ef8a-5
0.435
MED-UNK-e6e8ef8a-6
0.435
CHR-SOS-59746812-1
0.433
MAR-TRE-2fd8122f-60
0.426
CHR-SOS-59746812-5
0.426
JOH-IMS-4b4cc7e6-3
0.426
MAR-TRE-f6f5f473-95
0.425
WIL-UNI-5578df48-15
0.424
MAR-TRE-67513f76-73
0.424
MAR-TRE-7f7bb9f0-46
0.424
MAR-TRE-74c6519b-47
0.424
CHR-SOS-f7373dd1-4
0.424
MAR-TRE-3e4e6814-49
0.423
MAR-TRE-7f7bb9f0-49
0.422
MAR-TRE-7f7bb9f0-74
0.422
MAR-TRE-04c86cea-81
0.420
MAR-TRE-3e4e6814-62
0.420
MAR-TRE-3e4e6814-67
0.420
MAR-TRE-3e4e6814-50
0.418
MAR-TRE-04c86cea-97
0.418
MAK-UNK-d1e89583-1
0.417
MAR-TRE-2fd8122f-27
0.417
MED-UNK-e6e8ef8a-4
0.415
MAR-TRE-67513f76-93
0.415
MAR-TRE-b77b7921-74
0.414
WIL-UNI-5578df48-2
0.414
CHR-SOS-f7373dd1-1
0.412
MAR-TRE-9c797165-14
0.411
DAR-DIA-23aa0b97-6
0.409
DAR-DIA-23aa0b97-4
0.409
MAR-TRE-2fd8122f-57
0.409
CHR-SOS-70e4c98a-6
0.409
MAR-TRE-2fd8122f-78
0.409
MAR-TRE-2fd8122f-94
0.408
MAR-TRE-2fd8122f-35
0.407
MAK-UNK-748f8b7a-14
0.404
JAN-GHE-5a013bed-9
0.403