Molecular Properties | |
SMILES: | CCNc1ccc(F)c(Cc2cc(Cl)cc(NCC(=O)Nc3cccnc3)c2)n1 |
MW: | 413.884 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 78.94 |
cLogP: | 4.3423 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-VAN-c4cc60be-1
1.000
BEN-VAN-ed886787-9
0.798
BEN-VAN-ed886787-2
0.798
BEN-VAN-ed886787-6
0.741
BEN-VAN-ed886787-1
0.724
JOH-UNK-14e6adc5-5
0.724
BEN-VAN-ed886787-15
0.652
BEN-VAN-ed886787-7
0.602
BEN-VAN-ed886787-5
0.585
BEN-VAN-ed886787-8
0.585
BEN-VAN-ed886787-14
0.556
BEN-VAN-ed886787-10
0.537
BEN-VAN-ed886787-4
0.510
BEN-VAN-ed886787-12
0.510
BEN-VAN-ed886787-13
0.495
BEN-VAN-ed886787-16
0.475
BEN-VAN-ed886787-18
0.471
BEN-VAN-ed886787-17
0.431
BEN-VAN-ed886787-11
0.418
BEN-VAN-ed886787-19
0.413
WIL-UNI-1faa9b10-8
0.392
DAR-DIA-23aa0b97-16
0.391
JOH-UNK-14e6adc5-3
0.389
MAK-UNK-a7b37c5e-4
0.388
EDG-MED-0da5ad92-2
0.386
JOH-IMS-62aeb97d-5
0.380
MAR-TRE-67513f76-93
0.359
BEN-VAN-ed886787-20
0.358
MAK-UNK-a7b37c5e-5
0.352
WAR-XCH-eb7b662f-5
0.352
MAR-TRE-7f7bb9f0-74
0.348
MAR-TRE-3e4e6814-50
0.347
MAK-UNK-ca11b4f7-1
0.346
DAR-DIA-842b4336-12
0.341
ALE-HEI-f28a35b5-5
0.341
MED-UNK-e6e8ef8a-6
0.341
DAR-DIA-842b4336-11
0.341
TAM-UNI-c140e31a-3
0.339
MAR-TRE-67513f76-81
0.338
MAR-TRE-2fd8122f-45
0.337
MAR-TRE-74c6519b-68
0.337
SER-UNI-985a0e14-1
0.336
CHA-MCP-85291e1d-1
0.333
SAN-PRS-52b81272-2
0.333
MAR-TRE-7f7bb9f0-49
0.333
MAR-TRE-9c797165-14
0.333
CHA-MCP-85291e1d-2
0.333
MAR-TRE-2fd8122f-2
0.330
MAK-UNK-a7b37c5e-1
0.330
MAK-UNK-c749d764-17
0.330
SAD-SAT-24589cd1-4
0.330
WAR-XCH-eb7b662f-3
0.330
MAR-TRE-2fd8122f-9
0.327
MAR-TRE-7f7bb9f0-84
0.327
KEI-TRE-d5e2018a-6
0.327
DAR-DIA-23aa0b97-15
0.326
MAR-TRE-b77b7921-39
0.324
MAR-TRE-3e4e6814-28
0.324
CHA-MCP-85291e1d-4
0.323
CHR-SOS-7098f804-11
0.323
AUS-ARG-7cfdce8f-11
0.322
ALE-HEI-f28a35b5-14
0.322
CHR-SOS-70e4c98a-12
0.321
CHR-SOS-70e4c98a-9
0.321
MAR-TRE-7f7bb9f0-90
0.320
MAK-UNK-c749d764-27
0.319
DAR-DIA-842b4336-10
0.319
MAK-UNK-51bb34f9-3
0.318
ADA-UNI-f8e79267-10
0.317
MAR-TRE-f6f5f473-95
0.317
MAR-TRE-3e4e6814-65
0.317
CHA-MCP-85291e1d-5
0.316
MAR-TRE-7f7bb9f0-56
0.316
CHR-SOS-70e4c98a-4
0.315
CHR-SOS-70e4c98a-7
0.314
KEI-TRE-d5e2018a-54
0.314
MAR-TRE-9c797165-60
0.314
MAR-TRE-2fd8122f-60
0.313
AGN-NEW-891393a6-2
0.312
MAK-UNK-51bb34f9-2
0.312
WAR-XCH-eb7b662f-2
0.312
MAR-TRE-4b834d9a-79
0.312
DAR-DIA-842b4336-13
0.312
WAR-XCH-eb7b662f-4
0.312
ADA-UNI-f8e79267-12
0.311
MAR-TRE-67513f76-92
0.311
SAD-SAT-135344c3-10
0.311
ADA-UNI-f8e79267-11
0.311
KEI-TRE-d5e2018a-44
0.310
MAR-TRE-9c797165-94
0.310
MAR-TRE-04c86cea-81
0.310
JOH-UNK-14e6adc5-1
0.310
DAR-DIA-23aa0b97-17
0.309
ANN-UNI-26382800-5
0.309
DAR-DIA-842b4336-16
0.309
MAR-TRE-7f7bb9f0-12
0.308
JAN-GHE-83b26c96-19
0.308
WAR-XCH-eb7b662f-7
0.308
JOR-UNI-2fc98d0b-7
0.308
DAR-DIA-23aa0b97-14
0.308