Molecular Properties | |
SMILES: | CC(C)(C)c1cccc(NC(=O)Nc2cccnc2)c1 |
MW: | 269.15 |
Fraction sp3: | 0.25 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 54.02 |
cLogP: | 4.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-22
0.750
WIL-UNI-5578df48-19
0.712
WAR-XCH-eb7b662f-6
0.655
WAR-XCH-eb7b662f-7
0.596
JAN-GHE-83b26c96-19
0.596
JOR-UNI-2fc98d0b-7
0.596
DAR-DIA-23aa0b97-14
0.596
SAD-SAT-689b7d5a-3
0.581
DAR-DIA-23aa0b97-5
0.557
WAR-XCH-eb7b662f-1
0.557
ANN-UNI-26382800-4
0.557
JOR-UNI-61e7b1d5-2
0.557
AAR-POS-d2a4d1df-11
0.527
SAD-SAT-689b7d5a-8
0.515
BAR-COM-21d20d65-6
0.514
WAR-XCH-eb7b662f-3
0.508
MAK-UNK-129dcd6f-9
0.507
DAR-DIA-23aa0b97-15
0.500
DAR-DIA-842b4336-2
0.500
WIL-UNI-5578df48-28
0.493
DAR-DIA-842b4336-1
0.492
BAR-COM-21d20d65-8
0.486
MAK-UNK-129dcd6f-2
0.486
WIL-UNI-5578df48-26
0.486
WAR-XCH-eb7b662f-5
0.484
MAK-UNK-d1e89583-7
0.484
MAK-UNK-d1e89583-4
0.484
BAR-COM-21d20d65-5
0.479
WIL-UNI-5578df48-20
0.479
MAK-UNK-10dfa458-24
0.473
DAR-DIA-842b4336-7
0.469
WAR-XCH-eb7b662f-4
0.469
CHR-SOS-363cfb78-1
0.469
DAR-DIA-842b4336-3
0.468
ANN-UNI-26382800-3
0.468
JOH-UNK-14e6adc5-2
0.468
MAK-UNK-009ebe36-2
0.467
BAR-COM-21d20d65-2
0.467
BAR-COM-21d20d65-4
0.466
BAR-COM-21d20d65-9
0.466
WIL-UNI-5578df48-24
0.466
BAR-COM-21d20d65-7
0.461
WIL-UNI-5578df48-25
0.461
SAD-SAT-135344c3-7
0.455
BAR-COM-21d20d65-3
0.453
WIL-UNI-5578df48-23
0.453
MAK-UNK-30aad1f1-8
0.453
ALE-HEI-f28a35b5-4
0.453
SAD-SAT-f25ee457-8
0.451
WIL-UNI-5578df48-32
0.450
WIL-UNI-5578df48-29
0.449
SAD-SAT-cefd50cc-1
0.448
DAR-DIA-842b4336-8
0.446
DAR-DIA-842b4336-4
0.444
BEN-BAS-e0d85f98-1
0.443
WIL-UNI-5578df48-31
0.443
BAR-COM-21d20d65-1
0.442
WIL-UNI-5578df48-27
0.442
WAR-XCH-eb7b662f-2
0.441
MAK-UNK-129dcd6f-12
0.438
MAK-UNK-30aad1f1-6
0.438
DAR-DIA-842b4336-9
0.433
MAK-UNK-d1e89583-2
0.431
WIL-UNI-5578df48-30
0.430
MAK-UNK-d1e89583-1
0.429
MAK-UNK-ca11b4f7-3
0.429
DAR-DIA-842b4336-6
0.426
ALE-HEI-f28a35b5-15
0.426
MAK-UNK-129dcd6f-3
0.425
DAR-DIA-842b4336-5
0.424
JOH-IMS-62aeb97d-5
0.421
SAD-SAT-689b7d5a-5
0.419
IAN-BAS-df1706d7-1
0.417
WIL-UNI-5578df48-15
0.414
JOR-UNI-61e7b1d5-1
0.413
MAR-TRE-67513f76-81
0.411
MAK-UNK-c749d764-17
0.409
MAK-UNK-10dfa458-31
0.408
BAR-COM-5694a99d-3
0.408
MAK-UNK-ca11b4f7-2
0.404
WIL-UNI-5578df48-14
0.403
MAK-UNK-ca11b4f7-1
0.397
MAK-UNK-129dcd6f-5
0.395
TAM-UNI-c140e31a-19
0.394
CHR-SOS-7098f804-12
0.394
ALE-HEI-f28a35b5-8
0.394
SAD-SAT-f25ee457-7
0.392
ALE-MCD-4ac17b19-1
0.390
CAS-DEP-167c18e3-4
0.389
JIA-UNI-12b1f9ae-1
0.389
MAR-TRE-2fd8122f-67
0.388
SAD-SAT-689b7d5a-9
0.386
SAD-SAT-689b7d5a-1
0.386
AHN-SAT-d468bb5b-1
0.383
FRA-FAC-9ed5a63a-3
0.382
HUB-UNK-9845d277-16
0.382
HUB-UNK-9845d277-3
0.382
MAK-UNK-10dfa458-16
0.382
WIL-UNI-5578df48-17
0.382
MAK-UNK-30aad1f1-12
0.382