Molecular Properties | |
SMILES: | NC(=O)CCCc1cncc(NC(=O)Nc2cccc(O)c2)c1 |
MW: | 314.345 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 117.34 |
cLogP: | 2.2392 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAN-LUN-3e0f9c09-2
1.000
JAN-LUN-8953ce76-1
0.825
JAN-LUN-3e0f9c09-4
0.825
JAN-LUN-8953ce76-7
0.825
JAN-LUN-3e0f9c09-1
0.589
JAN-LUN-8953ce76-6
0.589
JAN-LUN-3e0f9c09-3
0.482
JAN-LUN-04aedcc0-1
0.420
JAN-LUN-04aedcc0-7
0.396
JAN-LUN-04aedcc0-2
0.376
WIL-UNI-5578df48-28
0.373
BAR-COM-21d20d65-8
0.372
BAR-COM-21d20d65-9
0.372
BAR-COM-21d20d65-3
0.364
DAR-DIA-23aa0b97-13
0.364
BAR-COM-21d20d65-4
0.356
JAN-LUN-3e0f9c09-5
0.355
JAN-LUN-8953ce76-2
0.355
WIL-UNI-5578df48-26
0.353
SID-ELM-2583a2cd-6
0.351
BAR-COM-21d20d65-6
0.348
JAN-LUN-3e0f9c09-7
0.347
JAN-LUN-8953ce76-5
0.347
DAR-DIA-23aa0b97-8
0.346
JAN-LUN-3e0f9c09-6
0.344
JAN-LUN-8953ce76-3
0.344
HAR-NEW-ca1d46ce-2
0.344
WAR-XCH-eb7b662f-6
0.342
JOR-UNI-2fc98d0b-7
0.342
WAR-XCH-eb7b662f-7
0.342
DAR-DIA-23aa0b97-14
0.342
JAN-GHE-83b26c96-19
0.342
WIL-UNI-5578df48-24
0.341
BAR-COM-21d20d65-1
0.341
SID-ELM-2583a2cd-5
0.338
BAR-COM-21d20d65-5
0.337
BAR-COM-21d20d65-2
0.330
WIL-UNI-5578df48-21
0.329
DAR-DIA-23aa0b97-15
0.329
WIL-UNI-5578df48-27
0.326
BAR-COM-21d20d65-7
0.326
WAR-XCH-eb7b662f-1
0.325
JOR-UNI-61e7b1d5-2
0.325
DAR-DIA-23aa0b97-5
0.325
ANN-UNI-26382800-4
0.325
MAK-UNK-30aad1f1-3
0.322
ABB-MCD-f549d731-1
0.321
WIL-UNI-5578df48-29
0.319
WIL-UNI-5578df48-19
0.318
WIL-UNI-5578df48-22
0.313
WAR-XCH-eb7b662f-4
0.312
CHR-SOS-363cfb78-1
0.312
WIL-UNI-5578df48-25
0.312
SAD-SAT-135344c3-7
0.309
SID-ELM-2583a2cd-7
0.308
BAR-COM-4e090d3a-11
0.307
WIL-UNI-5578df48-30
0.305
WES-WAB-6f418dc2-1
0.304
MAK-UNK-10dfa458-24
0.304
WIL-UNI-5578df48-14
0.302
AAR-POS-d2a4d1df-11
0.301
MAK-UNK-37f1d6fa-6
0.299
MAK-UNK-30aad1f1-6
0.299
MAR-TRE-9d18ae8c-52
0.297
SAD-SAT-f25ee457-8
0.295
WIL-UNI-5578df48-15
0.294
AAR-UNI-c25c2f1e-65
0.291
TRY-UNI-714a760b-9
0.291
WIL-UNI-5578df48-23
0.290
WIL-UNI-5578df48-20
0.289
WIL-UNI-5578df48-31
0.289
MAR-TRE-fd17a9b8-34
0.287
MAK-UNK-009ebe36-2
0.287
WAR-XCH-6eb0722e-2
0.286
DAR-DIA-842b4336-1
0.286
DAR-DIA-0cde14eb-52
0.284
DAR-DIA-0cde14eb-53
0.284
DAR-DIA-23aa0b97-16
0.284
WIL-UNI-5578df48-32
0.283
MAK-UNK-129dcd6f-7
0.283
MAK-UNK-129dcd6f-9
0.283
MAK-UNK-129dcd6f-2
0.283
SAD-SAT-135344c3-10
0.283
IAN-BAS-daf5a467-1
0.282
WAR-XCH-eb7b662f-3
0.282
CHA-MCP-85291e1d-4
0.281
DAR-DIA-842b4336-8
0.280
MAK-UNK-129dcd6f-16
0.280
DAR-DIA-842b4336-2
0.278
WES-WAB-2b40d25a-1
0.278
DAR-DIA-0cde14eb-37
0.278
DAR-DIA-0cde14eb-38
0.278
TRY-UNI-714a760b-23
0.278
MAK-UNK-30aad1f1-8
0.277
WIL-UNI-5578df48-16
0.277
MAR-TRE-9d18ae8c-43
0.277
CAS-DEP-167c18e3-4
0.276
MAR-TRE-04c86cea-97
0.276
CHA-MCP-85291e1d-2
0.276
WAR-XCH-6eb0722e-6
0.276