Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)Nc1ccccc1C(=O)NCCc1c[nH]c2ccc(F)cc12 |
MW: | 417.444 |
Fraction sp3: | 0.09 |
HBA: | 3 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 98.91 |
cLogP: | 4.3185 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-37f1d6fa-6
0.673
MAK-UNK-37f1d6fa-7
0.670
MAK-UNK-37f1d6fa-4
0.657
MAK-UNK-37f1d6fa-2
0.576
MAK-UNK-37f1d6fa-3
0.553
AAR-POS-d2a4d1df-2
0.483
ASH-UNK-40b46b30-7
0.481
NAU-LAT-81109c57-8
0.453
MAK-UNK-be5ffcbc-8
0.452
MAK-UNK-129dcd6f-4
0.450
NAU-LAT-81109c57-1
0.448
MAK-UNK-10572812-14
0.433
MAK-UNK-10572812-15
0.429
NAU-LAT-81109c57-4
0.419
NAU-LAT-81109c57-2
0.417
MAK-UNK-10572812-9
0.415
MAK-UNK-be5ffcbc-1
0.408
FRA-LAB-04e32718-1
0.406
MAK-UNK-10572812-7
0.405
STE-LAU-aafa5dff-1
0.402
MAK-UNK-be5ffcbc-3
0.402
MAK-UNK-10572812-8
0.402
MAK-UNK-be5ffcbc-7
0.396
MAK-UNK-10572812-3
0.392
MAK-UNK-10572812-16
0.390
TAM-UNI-c140e31a-3
0.386
MAR-TRE-04c86cea-51
0.385
MAK-UNK-10572812-6
0.383
MAR-TRE-92684b97-67
0.379
SAN-PRS-3c4a6997-4
0.375
MAK-UNK-10572812-17
0.374
JIA-UNI-12b1f9ae-1
0.374
BAR-COM-5694a99d-1
0.371
BAR-COM-5694a99d-5
0.371
MAR-TRE-85681e92-60
0.371
BAR-COM-5694a99d-4
0.365
WAR-XCH-6eb0722e-6
0.364
BAR-COM-5694a99d-3
0.362
BAR-COM-5694a99d-2
0.362
WAR-XCH-6eb0722e-5
0.361
MAR-TRE-c317dd82-56
0.361
MAR-TRE-7f7bb9f0-83
0.360
HUB-UNK-9845d277-3
0.356
MAR-TRE-2fd8122f-21
0.355
WAR-XCH-6eb0722e-1
0.355
WAR-XCH-6eb0722e-3
0.354
IAN-BAS-df1706d7-1
0.353
MAK-UNK-129dcd6f-5
0.352
CHR-SOS-363cfb78-3
0.352
MAR-TRE-be9ff7d2-73
0.352
TAM-UNI-c140e31a-19
0.350
MAR-TRE-74c6519b-68
0.349
AAR-POS-d2a4d1df-11
0.348
WAR-XCH-6eb0722e-2
0.348
MAK-UNK-30aad1f1-1
0.348
TAM-UNI-c140e31a-22
0.347
MAK-UNK-d1e89583-8
0.347
WAR-XCH-6eb0722e-4
0.345
WIL-UNI-5578df48-1
0.343
SAD-SAT-689b7d5a-5
0.343
HUB-UNK-9845d277-14
0.343
ABI-SAT-30e287c1-2
0.340
MAK-UNK-a7b37c5e-5
0.337
MAR-UCB-195bc32d-16
0.337
JOH-MSK-a63bdd1d-4
0.337
DUN-NEW-f8ce3686-12
0.337
JOH-MEM-4bb7e4cc-1
0.337
MAT-GIT-deadff56-1
0.337
JOH-MSK-a63bdd1d-5
0.337
MAK-UNK-d1e89583-4
0.333
MAK-UNK-30aad1f1-14
0.333
MAK-UNK-de8f6d00-5
0.331
MAR-TRE-74c6519b-79
0.330
WIL-UNI-5578df48-14
0.330
SAD-SAT-cefd50cc-1
0.330
MAK-UNK-ae34c249-1
0.328
JOR-UNI-61e7b1d5-1
0.327
JOH-MSK-35a8745a-1
0.327
ALE-ACE-2610ee4d-1
0.327
MAR-UCB-195bc32d-21
0.327
SAD-SAT-689b7d5a-1
0.325
BAR-COM-21d20d65-9
0.324
SAD-SAT-689b7d5a-8
0.324
ALE-HEI-f28a35b5-15
0.323
SAN-PRS-3c4a6997-1
0.320
MAR-TRE-e82e6c98-51
0.318
MAK-UNK-d1e89583-2
0.316
DAR-DIA-23aa0b97-16
0.316
ASH-UNK-40b46b30-1
0.315
SAD-SAT-f25ee457-7
0.315
WIL-UNI-5578df48-7
0.314
DAR-DIA-23aa0b97-15
0.312
MAK-UNK-d1e89583-1
0.312
HUB-UNK-9845d277-4
0.311
WIL-UNI-5578df48-15
0.311
KEI-TRE-d5e2018a-98
0.310
WAR-XCH-eb7b662f-5
0.310
MAK-UNK-a7b37c5e-2
0.310
JOH-UNK-14e6adc5-2
0.309
WAR-XCH-eb7b662f-6
0.309