Molecular Properties | |
SMILES: | Clc1ccc(CNc2cccnc2)c(CNc2ccccn2)c1 |
MW: | 324.815 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 49.84 |
cLogP: | 4.3542 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
MAK-UNK-30aad1f1-1
0.330
ADA-UNI-f8e79267-10
0.322
DAR-DIA-23aa0b97-16
0.321
EDG-MED-0da5ad92-2
0.316
MAK-UNK-a7b37c5e-4
0.316
ADA-UNI-f8e79267-7
0.309
ISA-SCH-8e98219b-4
0.308
CHR-SOS-7098f804-14
0.306
MAK-UNK-a7b37c5e-1
0.304
WAR-XCH-6eb0722e-4
0.298
CHR-SOS-7098f804-11
0.296
WAR-XCH-eb7b662f-7
0.295
DAR-DIA-23aa0b97-14
0.295
JAN-GHE-83b26c96-19
0.295
JOR-UNI-2fc98d0b-7
0.295
MIC-UNK-06e5f114-1
0.291
CHR-SOS-7098f804-12
0.291
MAK-UNK-d1e89583-7
0.291
MIC-UNK-06e5f114-2
0.290
MAK-UNK-d1e89583-6
0.289
CHR-SOS-7098f804-16
0.289
MAK-UNK-30aad1f1-6
0.289
WAR-XCH-6eb0722e-2
0.289
MAK-UNK-30aad1f1-7
0.287
WAR-XCH-eb7b662f-3
0.286
ADA-UNI-f8e79267-11
0.286
JOR-UNI-2fc98d0b-2
0.286
KAL-WAB-eb347ebe-1
0.282
MAK-UNK-d1e89583-9
0.282
DAR-DIA-fc970077-14
0.282
DAR-DIA-23aa0b97-15
0.282
MAK-UNK-ca11b4f7-1
0.282
BEN-BAS-e0d85f98-1
0.278
EMI-TUK-a58865cc-2
0.278
MAR-TRE-7f7bb9f0-74
0.277
KEI-TRE-d5e2018a-54
0.277
SRE-UNK-d6ec0668-1
0.276
SRE-UNK-f31cebfc-1
0.276
MAR-TRE-2fd8122f-25
0.276
MAK-UNK-d1e89583-5
0.274
SAN-PRS-52b81272-2
0.273
EDJ-MED-15e90dfc-5
0.272
WIL-UNI-1faa9b10-8
0.272
CHR-SOS-7098f804-15
0.272
JOR-UNI-2fc98d0b-8
0.272
MAR-TRE-67513f76-81
0.271
BEN-VAN-ed886787-14
0.271
ERI-UCB-ce40166b-23
0.271
ADA-UNI-f8e79267-8
0.271
MAK-UNK-d1e89583-3
0.271
AGN-NEW-891393a6-2
0.271
AAR-POS-d2a4d1df-11
0.270
CHR-SOS-7098f804-13
0.270
SAD-SAT-24589cd1-4
0.269
WIL-UNI-5578df48-21
0.268
WAR-XCH-eb7b662f-4
0.268
DAR-DIA-842b4336-13
0.268
JOR-UNI-2fc98d0b-16
0.268
KEI-TRE-d5e2018a-84
0.268
DAR-DIA-23aa0b97-17
0.267
KEI-TRE-d5e2018a-76
0.266
MAR-TRE-3e4e6814-65
0.266
MAK-UNK-30aad1f1-4
0.265
MAK-UNK-a7b37c5e-2
0.265
WAR-XCH-eb7b662f-5
0.265
KEI-TRE-d5e2018a-59
0.265
MAR-TRE-4b834d9a-79
0.265
MAK-UNK-d1e89583-8
0.264
AGN-NEW-891393a6-1
0.264
MAR-TRE-3e4e6814-50
0.264
BEN-VAN-ed886787-15
0.264
JOH-IMS-62aeb97d-5
0.264
DAR-DIA-23aa0b97-12
0.264
SAD-SAT-135344c3-3
0.263
KEI-TRE-d5e2018a-16
0.263
JOR-UNI-2fc98d0b-17
0.263
AUS-ARG-7cfdce8f-11
0.263
WAR-XCH-e55cba98-13
0.262
KEI-TRE-d5e2018a-33
0.262
BEN-DND-61647d40-20
0.262
KEI-TRE-d5e2018a-89
0.261
EMI-TUK-a58865cc-1
0.261
BEN-DND-d1eb1f41-4
0.260
CHR-SOS-b301fc01-1
0.260
WIL-UNI-5578df48-2
0.260
BEN-DND-61647d40-18
0.259
DAR-DIA-842b4336-14
0.259
MAR-TRE-f6f5f473-78
0.259
KEI-TRE-d5e2018a-99
0.258
ASH-UNK-40b46b30-3
0.258
MAR-TRE-67513f76-32
0.258
ADA-UNI-f8e79267-4
0.258
KEI-TRE-d5e2018a-19
0.258
ADA-UNI-f8e79267-12
0.258
MAR-TRE-2fd8122f-88
0.258
JOR-UNI-61e7b1d5-21
0.257
BEN-VAN-c4cc60be-1
0.257
BEN-VAN-ed886787-3
0.257
MAK-UNK-c749d764-17
0.256
MAK-UNK-d1e89583-2
0.256