Molecular Properties | |
SMILES: | O=C(Nc1cccc(O)c1)Nc1cnccc1CC1CCNC(=O)N1 |
MW: | 341.371 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 5 |
Rotatable Bonds: | 4 |
TPSA: | 115.38 |
cLogP: | 2.0452 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
HAR-NEW-ca1d46ce-1
0.667
DAR-DIA-03336633-4
0.360
DAR-DIA-03336633-3
0.358
WIL-UNI-5578df48-11
0.352
JAN-LUN-3e0f9c09-2
0.344
JAN-LUN-8953ce76-4
0.344
DAR-DIA-0cde14eb-7
0.344
JAN-LUN-3e0f9c09-4
0.333
JAN-LUN-8953ce76-7
0.333
JAN-LUN-8953ce76-1
0.333
HAN-NEW-5f56c3bc-3
0.330
DAR-DIA-03336633-1
0.330
DAR-DIA-0cde14eb-6
0.330
DAR-DIA-0cde14eb-8
0.330
TRY-UNI-714a760b-24
0.330
TRY-UNI-714a760b-12
0.330
JAG-UCB-cedd89ab-8
0.330
JAN-LUN-8953ce76-3
0.327
JAN-LUN-3e0f9c09-6
0.327
RAL-MED-2de63afb-13
0.323
DAR-DIA-0cde14eb-9
0.323
WIL-UNI-5578df48-26
0.320
DAR-DIA-0cde14eb-5
0.320
JAN-LUN-3e0f9c09-7
0.318
JAN-LUN-8953ce76-5
0.318
MAK-UNK-30aad1f1-4
0.314
DAR-DIA-03336633-11
0.311
JAN-LUN-3e0f9c09-5
0.311
JAN-LUN-8953ce76-2
0.311
BAR-COM-21d20d65-5
0.307
ALE-HEI-f28a35b5-1
0.307
TRY-UNI-714a760b-4
0.307
WIL-UNI-5578df48-29
0.305
SAD-SAT-cefd50cc-1
0.301
BAR-COM-21d20d65-2
0.301
RAL-MED-2de63afb-1
0.300
JOR-UNI-61e7b1d5-1
0.300
WIL-UNI-5578df48-27
0.298
WIL-UNI-5578df48-25
0.298
ALP-POS-95b75b4d-2
0.298
CHA-KIN-ceadbd93-3
0.298
MAK-UNK-129dcd6f-9
0.297
JOR-UNI-61e7b1d5-2
0.293
WAR-XCH-eb7b662f-1
0.293
DAR-DIA-23aa0b97-5
0.293
ANN-UNI-26382800-4
0.293
WIL-UNI-5578df48-30
0.292
JOR-UNI-2fc98d0b-7
0.292
JAN-GHE-83b26c96-19
0.292
WAR-XCH-eb7b662f-7
0.292
DAR-DIA-23aa0b97-14
0.292
WAR-XCH-eb7b662f-6
0.292
MAK-UNK-129dcd6f-4
0.291
MAK-UNK-129dcd6f-6
0.290
MAK-UNK-129dcd6f-15
0.290
DAR-DIA-0cde14eb-69
0.287
BAR-COM-4e090d3a-39
0.287
DAR-DIA-0cde14eb-52
0.286
BAR-COM-21d20d65-1
0.286
TRY-UNI-bbd40bb4-3
0.286
TRY-UNI-bbd40bb4-5
0.284
WIL-UNI-5578df48-24
0.284
BAR-COM-21d20d65-4
0.284
BAR-COM-21d20d65-9
0.284
MAK-UNK-129dcd6f-2
0.284
RAL-MED-2de63afb-8
0.284
BAR-COM-5694a99d-3
0.284
SAD-SAT-135344c3-7
0.283
SAD-SAT-7d5528d9-2
0.283
WIL-UNI-5578df48-28
0.283
WIL-UNI-5578df48-21
0.283
WAR-XCH-eb7b662f-4
0.283
BAR-COM-5694a99d-1
0.282
CHA-KIN-ceadbd93-1
0.281
WIL-UNI-5578df48-12
0.281
DAR-DIA-0cde14eb-37
0.280
RAL-MED-2de63afb-7
0.280
SAD-SAT-24589cd1-6
0.279
MAR-TRE-2fd8122f-7
0.279
WIL-UNI-5578df48-23
0.279
BAR-COM-21d20d65-3
0.279
BAR-COM-21d20d65-6
0.279
MAK-UNK-10dfa458-24
0.279
CHR-SOS-363cfb78-2
0.278
LON-WEI-0a73fcb8-7
0.278
WIL-UNI-5578df48-20
0.277
SAD-SAT-24589cd1-8
0.277
WAR-XCH-b0339bbe-9
0.277
WIL-UNI-5578df48-10
0.277
MAK-UNK-c749d764-13
0.276
WAR-XCH-6eb0722e-2
0.275
MAK-UNK-d1e89583-4
0.275
TRY-UNI-1fd04853-2
0.275
MAK-UNK-129dcd6f-5
0.275
RAL-MED-2de63afb-4
0.275
BAR-COM-5694a99d-4
0.275
MAR-TRE-d0525fbf-77
0.274
CHA-KIN-ceadbd93-2
0.274
DAR-DIA-0cde14eb-51
0.274
DAR-DIA-0cde14eb-53
0.274