Molecular Properties | |
SMILES: | O=C(Cn1cnnn1)Nc1ccccc1C(=O)Nc1cccnc1 |
MW: | 323.11 |
Fraction sp3: | 0.07 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 114.69 |
cLogP: | 0.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-129dcd6f-4
0.442
KEI-TRE-d5e2018a-98
0.440
MAR-TRE-f6f5f473-52
0.424
KEI-TRE-d5e2018a-44
0.405
MAR-TRE-2fd8122f-73
0.391
STE-LAU-aafa5dff-1
0.386
CHR-SOS-7098f804-11
0.375
JOH-IMS-62aeb97d-5
0.371
MAR-TRE-c317dd82-59
0.371
CHR-SOS-7098f804-14
0.365
MAR-TRE-67513f76-81
0.362
MAR-TRE-2fd8122f-78
0.361
BAR-COM-5694a99d-4
0.360
MAK-UNK-a7b37c5e-2
0.358
MAK-UNK-ca11b4f7-3
0.357
CHR-SOS-7098f804-13
0.356
MAR-TRE-74c6519b-68
0.356
SAN-PRS-52b81272-2
0.355
MAK-UNK-37f1d6fa-1
0.355
MAR-TRE-04c86cea-86
0.353
JIA-UNI-12b1f9ae-1
0.353
MAK-UNK-ca11b4f7-1
0.352
BAR-COM-5694a99d-1
0.352
SAD-SAT-24589cd1-4
0.351
MAR-TRE-2fd8122f-7
0.348
EDG-MED-0da5ad92-2
0.346
MAR-TRE-2fd8122f-58
0.345
KEI-TRE-d5e2018a-74
0.344
CHR-SOS-7098f804-16
0.344
MAR-TRE-2fd8122f-5
0.344
MAK-UNK-a7b37c5e-5
0.342
JOH-UNK-14e6adc5-2
0.342
ANN-UNI-26382800-3
0.342
AUS-ARG-7cfdce8f-11
0.342
DAR-DIA-23aa0b97-17
0.341
MAR-TRE-4b834d9a-31
0.341
BAR-COM-5694a99d-3
0.341
MAK-UNK-30aad1f1-1
0.340
AAR-POS-d2a4d1df-11
0.338
DAR-DIA-842b4336-10
0.338
CHR-SOS-7098f804-12
0.338
BAR-COM-5694a99d-5
0.337
KEI-TRE-d5e2018a-67
0.337
HUB-UNK-9845d277-3
0.333
KEI-TRE-d5e2018a-13
0.333
DAR-DIA-23aa0b97-16
0.333
SAD-SAT-689b7d5a-5
0.333
MAK-UNK-c749d764-17
0.333
MAR-TRE-3e4e6814-61
0.333
MAK-UNK-1e8f9e3c-4
0.330
MAR-TRE-3e4e6814-100
0.330
MAR-TRE-4f781e27-34
0.330
MAR-TRE-2fd8122f-68
0.330
JOR-UNI-61e7b1d5-1
0.330
MAR-TRE-9c797165-60
0.330
NAU-LAT-64f4b287-10
0.330
CHR-SOS-70e4c98a-6
0.329
MED-UNK-e6e8ef8a-6
0.329
DAR-DIA-842b4336-11
0.329
MAK-UNK-a7b37c5e-4
0.329
CHR-SOS-7098f804-15
0.326
MAR-TRE-2fd8122f-82
0.326
MAR-TRE-9c797165-21
0.326
MAR-TRE-b77b7921-91
0.326
KAL-WAB-eb347ebe-1
0.326
ANN-UNI-26382800-5
0.326
MAR-TRE-67513f76-73
0.326
JOH-IMS-62aeb97d-4
0.325
ALE-HEI-f28a35b5-14
0.325
WIL-UNI-5578df48-2
0.325
ALE-HEI-f28a35b5-15
0.325
MAR-TRE-d0525fbf-77
0.324
MAR-TRE-4b834d9a-97
0.323
MAR-TRE-2fd8122f-52
0.323
KEI-TRE-d5e2018a-68
0.323
MAK-UNK-30aad1f1-14
0.323
MAR-TRE-2fd8122f-65
0.323
CHR-SOS-70e4c98a-1
0.322
CHR-SOS-70e4c98a-8
0.322
ADA-UNI-f8e79267-5
0.322
MAR-TRE-7f7bb9f0-90
0.322
SAN-PRS-52b81272-3
0.321
MAR-TRE-04c86cea-53
0.320
KEI-TRE-d5e2018a-71
0.320
MAR-TRE-2fd8122f-84
0.320
MAK-UNK-ca11b4f7-2
0.319
CHR-SOS-b301fc01-5
0.319
KEI-TRE-d5e2018a-45
0.319
MAR-TRE-74c6519b-58
0.319
CHR-SOS-f7373dd1-1
0.318
EMI-TUK-a58865cc-5
0.318
MAK-UNK-c749d764-14
0.318
CHA-MCP-85291e1d-5
0.318
MAR-TRE-7f7bb9f0-56
0.318
KEI-TRE-d5e2018a-90
0.317
MAK-UNK-a7b37c5e-1
0.317
JOH-IMS-62aeb97d-3
0.317
KEI-TRE-d5e2018a-10
0.316
KEI-TRE-d5e2018a-86
0.316
MAR-TRE-2fd8122f-15
0.316