Molecular Properties | |
SMILES: | CC(=O)Nc1ccc(CCNC(=O)NCc2cccc(C#N)c2)cc1 |
MW: | 336.16 |
Fraction sp3: | 0.21 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 94.02 |
cLogP: | 2.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-UNI-c25c2f1e-90
0.481
MIH-UNI-6b9ca91a-5
0.411
AAR-UNI-c25c2f1e-7
0.385
TRY-UNI-1fd04853-6
0.375
AAR-UNI-c25c2f1e-78
0.349
TRY-UNI-9f475305-10
0.341
MAK-UNK-10dfa458-41
0.337
MIC-UNK-2744a8e2-1
0.333
PAT-UNK-b2d83456-1
0.329
ANT-DIA-b7f58f21-4
0.324
AAR-UNI-c25c2f1e-74
0.323
AAR-UNI-c25c2f1e-28
0.323
ANN-UNI-26382800-5
0.321
MAK-UNK-10dfa458-40
0.318
MAT-POS-ee51dedd-1
0.313
TRY-UNI-714a760b-20
0.307
MAR-TRE-6c5ef77a-62
0.306
MAK-UNK-10dfa458-42
0.305
AAR-UNI-c25c2f1e-12
0.303
MAR-TRE-8190bb11-69
0.302
TRY-UNI-714a760b-19
0.300
WIL-UNI-5578df48-14
0.299
SAD-SAT-24589cd1-5
0.295
JAG-UCB-1d922829-5
0.295
IAN-BAS-9ef79f6c-1
0.295
RAL-THA-2d450e86-12
0.293
SAD-SAT-24589cd1-3
0.293
SAD-SAT-24589cd1-1
0.293
MAR-TRE-74c6519b-100
0.292
WIL-UNI-1faa9b10-23
0.291
MAR-TRE-4b834d9a-75
0.290
AAR-UNI-c25c2f1e-2
0.287
SAD-SAT-24589cd1-8
0.286
AAR-UNI-c25c2f1e-51
0.286
MAR-TRE-0fda4e82-24
0.286
AAR-UNI-c25c2f1e-31
0.284
AAR-UNI-c25c2f1e-35
0.284
AAR-UNI-c25c2f1e-62
0.283
MIC-UNK-2744a8e2-8
0.282
DAR-DIA-23aa0b97-4
0.279
MIC-UNK-2744a8e2-6
0.279
MIC-UNK-2744a8e2-2
0.278
JOH-MEM-4bb7e4cc-1
0.276
DUN-NEW-f8ce3686-12
0.276
MAT-GIT-deadff56-1
0.276
AAR-UNI-c25c2f1e-102
0.276
SAD-SAT-c989feaa-2
0.276
PAU-WEI-b9b69149-4
0.276
MAK-UNK-748f8b7a-6
0.275
ANN-UNI-26382800-6
0.274
MIC-UNK-2744a8e2-9
0.274
MIC-UNK-2744a8e2-7
0.274
AAR-UNI-c25c2f1e-82
0.273
TAM-UNI-d1c3dd9f-18
0.272
IND-SYN-2c708b29-4
0.270
WIL-UNI-5578df48-37
0.270
MAK-UNK-30aad1f1-6
0.270
SAD-SAT-24589cd1-9
0.269
JOR-UNI-61e7b1d5-26
0.269
AAR-UNI-c25c2f1e-3
0.269
AAR-UNI-c25c2f1e-18
0.269
PAU-WEI-b9b69149-6
0.267
TRY-UNI-9f475305-6
0.267
MAK-UNK-f983951f-23
0.267
DAR-DIA-23aa0b97-3
0.267
MAR-TRE-14ce9fd6-59
0.266
NIC-BIO-a68395b7-4
0.264
TAM-UNI-d1c3dd9f-16
0.264
DAR-DIA-03336633-4
0.264
DAR-DIA-23aa0b97-19
0.263
GAB-REV-70cc3ca5-19
0.263
GAB-REV-df64cf17-7
0.262
JOR-UNI-61e7b1d5-12
0.262
NEL-UNI-1464a899-8
0.262
MAR-TRE-1c920f6f-31
0.261
PET-SGC-0f1d26ed-2
0.261
LON-WEI-4d77710c-52
0.260
DAR-DIA-23aa0b97-1
0.260
LON-WEI-5e7d1b3e-52
0.260
MAT-POS-2492181e-1
0.260
JOR-UNI-61e7b1d5-28
0.260
WAR-XCH-bdd24732-19
0.260
JOR-UNI-61e7b1d5-2
0.259
WAR-XCH-eb7b662f-1
0.259
ANN-UNI-26382800-4
0.259
DAR-DIA-23aa0b97-5
0.259
RAL-MED-2de63afb-12
0.258
AAR-UNI-c25c2f1e-65
0.258
ANT-DIA-b7f58f21-9
0.258
AAR-UNI-c25c2f1e-49
0.258
LON-WEI-4d77710c-17
0.257
LON-WEI-5e7d1b3e-17
0.257
MAT-POS-2492181e-4
0.257
MAR-TRE-a3327163-57
0.256
NIC-BIO-a68395b7-2
0.256
TRY-UNI-714a760b-24
0.256
LOR-NOR-30067bb9-11
0.256
JOR-UNI-61e7b1d5-9
0.255
JOR-UNI-61e7b1d5-7
0.255
MAK-UNK-30aad1f1-7
0.255