Molecular Properties | |
SMILES: | N#Cc1cccc(NCC(=O)NCc2ccc(-n3cncn3)cc2)c1 |
MW: | 332.14 |
Fraction sp3: | 0.11 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 95.63 |
cLogP: | 1.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-UNI-c25c2f1e-9
0.348
AAR-UNI-c25c2f1e-21
0.344
DAR-DIA-23aa0b97-19
0.337
DAR-DIA-23aa0b97-3
0.330
DAR-DIA-23aa0b97-4
0.330
MAK-UNK-f983951f-23
0.325
SER-UNI-985a0e14-2
0.319
DAR-DIA-23aa0b97-18
0.313
AAR-UNI-c25c2f1e-74
0.313
TAT-ENA-80bfd3e5-10
0.309
DAR-DIA-23aa0b97-1
0.306
AAR-UNI-c25c2f1e-63
0.299
MAK-UNK-6ca90168-25
0.299
MAK-UNK-af83ef51-13
0.299
ANN-UNI-26382800-4
0.295
JOR-UNI-61e7b1d5-2
0.295
DAR-DIA-23aa0b97-5
0.295
WAR-XCH-eb7b662f-1
0.295
MIH-UNI-6b9ca91a-5
0.294
TRY-UNI-9f475305-10
0.289
DAR-DIA-23aa0b97-8
0.286
MIC-UNK-2744a8e2-2
0.284
MIC-UNK-2744a8e2-13
0.283
MIC-UNK-1e397c67-1
0.283
ANN-UNI-26382800-5
0.283
AAR-UNI-c25c2f1e-64
0.280
TRY-UNI-1fd04853-8
0.278
TRY-UNI-714a760b-24
0.277
AAR-UNI-c25c2f1e-61
0.276
AAR-UNI-c25c2f1e-56
0.276
MIC-UNK-2744a8e2-5
0.275
MIC-UNK-2744a8e2-6
0.273
JUL-TUD-06b2044f-149
0.271
AAR-UNI-c25c2f1e-12
0.271
MIC-UNK-2744a8e2-10
0.270
MIC-UNK-2744a8e2-12
0.270
AAR-POS-d2a4d1df-21
0.270
DAR-DIA-03336633-4
0.270
NIM-UNI-310206f0-21
0.270
TRY-UNI-714a760b-23
0.268
MIC-UNK-2744a8e2-9
0.268
TRY-UNI-1fd04853-6
0.267
MIC-UNK-2744a8e2-4
0.267
DAR-DIA-23aa0b97-11
0.267
ANN-UNI-26382800-6
0.267
MAK-UNK-10dfa458-40
0.266
MIC-UNK-2744a8e2-14
0.265
SWA-SYN-6423ea73-7
0.264
SWA-SYN-d2e6fa14-7
0.264
MIC-UNK-2744a8e2-1
0.264
MIC-UNK-2744a8e2-11
0.264
MIC-UNK-2744a8e2-8
0.264
MAT-POS-ee51dedd-1
0.261
RAL-THA-2d450e86-12
0.260
JUL-TUD-06b2044f-120
0.260
MIC-UNK-2744a8e2-3
0.259
PAT-UNK-b2d83456-1
0.258
MAR-TRE-92684b97-89
0.258
MAR-TRE-a3327163-30
0.257
MIC-UNK-2744a8e2-7
0.257
EDJ-MED-378a25ea-3
0.256
MAR-TRE-799db12b-84
0.255
SAD-SAT-24589cd1-8
0.253
MAR-TRE-a3327163-36
0.252
TRY-UNI-1fd04853-10
0.250
NIC-BIO-a68395b7-2
0.250
AAR-UNI-c25c2f1e-70
0.250
AAR-UNI-c25c2f1e-104
0.250
MIC-UNK-df342a3f-1
0.250
SAD-SAT-24589cd1-1
0.248
SAD-SAT-24589cd1-3
0.248
SAD-SAT-24589cd1-5
0.247
DAN-MCD-02570321-1
0.246
RAL-THA-2d450e86-5
0.245
TRY-UNI-714a760b-20
0.245
MAK-UNK-10dfa458-41
0.245
MAR-TRE-92684b97-9
0.245
MAR-TRE-1c920f6f-75
0.245
JUL-TUD-06b2044f-150
0.243
AAR-UNI-c25c2f1e-5
0.243
AAR-UNI-c25c2f1e-7
0.243
BEN-DND-61647d40-1
0.243
MAR-TRE-9d18ae8c-92
0.243
MAR-TRE-a3327163-53
0.242
MAR-TRE-a3327163-42
0.242
SAD-SAT-24589cd1-9
0.241
BEN-DND-61647d40-3
0.240
PAT-GYR-de8eec61-5
0.240
TRY-UNI-714a760b-19
0.240
ALP-POS-780445ae-5
0.239
MAR-TRE-6a44bbf2-70
0.239
MAR-TRE-e82e6c98-54
0.239
MAK-UNK-30aad1f1-7
0.238
MAR-TRE-a9136c7b-100
0.238
MAR-TRE-799db12b-24
0.238
NIM-UNI-310206f0-35
0.237
EDJ-MED-378a25ea-5
0.237
JOR-UNI-61e7b1d5-10
0.235
MAR-TRE-14ce9fd6-61
0.235
GAB-REV-df64cf17-1
0.235