Molecular Properties | |
SMILES: | O=C(Nc1ccc(C(=O)NCCc2c[nH]c3ccc(F)cc23)cc1)Nc1cccnc1 |
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
0.758
MAK-UNK-37f1d6fa-1
0.670
MAK-UNK-37f1d6fa-3
0.660
MAK-UNK-37f1d6fa-2
0.652
MAK-UNK-37f1d6fa-4
0.584
AAR-POS-d2a4d1df-2
0.506
NAU-LAT-81109c57-8
0.489
MAK-UNK-10572812-14
0.474
MAK-UNK-be5ffcbc-8
0.472
ASH-UNK-40b46b30-7
0.456
NAU-LAT-81109c57-1
0.452
MAR-TRE-92684b97-67
0.438
NAU-LAT-81109c57-4
0.436
NAU-LAT-81109c57-2
0.434
MAK-UNK-10572812-16
0.427
MAK-UNK-be5ffcbc-1
0.424
FRA-LAB-04e32718-1
0.422
MAK-UNK-10572812-9
0.417
WIL-UNI-5578df48-14
0.415
MAR-TRE-04c86cea-51
0.413
MAK-UNK-be5ffcbc-7
0.412
MAK-UNK-10572812-15
0.407
MAK-UNK-10572812-7
0.407
MAR-TRE-be9ff7d2-73
0.406
MAK-UNK-10572812-3
0.405
MAK-UNK-be5ffcbc-3
0.404
MAK-UNK-10572812-8
0.403
MAR-TRE-c317dd82-56
0.402
TAM-UNI-c140e31a-3
0.400
MAK-UNK-129dcd6f-12
0.398
AAR-POS-d2a4d1df-11
0.398
WIL-UNI-5578df48-15
0.394
MAK-UNK-10dfa458-31
0.390
MAK-UNK-10572812-17
0.387
MAK-UNK-10572812-6
0.384
SAN-PRS-3c4a6997-4
0.376
MAR-TRE-85681e92-60
0.373
TAM-UNI-c140e31a-22
0.371
MAK-UNK-a7b37c5e-5
0.367
JOH-UNK-14e6adc5-2
0.367
ANN-UNI-26382800-3
0.367
WIL-UNI-5578df48-17
0.356
MAR-TRE-e82e6c98-51
0.356
WIL-UNI-5578df48-16
0.356
MAR-TRE-4f781e27-82
0.356
DAR-DIA-23aa0b97-15
0.356
ABI-SAT-30e287c1-2
0.355
MAK-UNK-de8f6d00-3
0.353
MAR-TRE-7f7bb9f0-83
0.348
WIL-UNI-5578df48-1
0.344
MAK-UNK-d1e89583-1
0.341
MAR-UCB-195bc32d-21
0.340
ALE-ACE-2610ee4d-1
0.340
JOH-MSK-35a8745a-1
0.340
IAN-BAS-df1706d7-1
0.340
WIL-UNI-5578df48-18
0.340
ALE-HEI-f28a35b5-15
0.337
WAR-XCH-eb7b662f-6
0.337
JOH-MSK-a63bdd1d-4
0.337
MAR-UCB-195bc32d-16
0.337
MAT-GIT-deadff56-1
0.337
JOH-MEM-4bb7e4cc-1
0.337
DUN-NEW-f8ce3686-12
0.337
JOH-MSK-a63bdd1d-5
0.337
MAK-UNK-d1e89583-8
0.333
MAK-UNK-129dcd6f-3
0.333
MAK-UNK-ae34c249-7
0.333
SAN-PRS-3c4a6997-1
0.333
BAR-COM-21d20d65-5
0.333
ROM-UNK-ef52a3c9-4
0.330
MAK-UNK-10dfa458-16
0.330
MAR-TRE-7f7bb9f0-56
0.330
AAR-UNI-c25c2f1e-79
0.330
WAR-XCH-eb7b662f-3
0.330
WIL-UNI-5578df48-7
0.327
WAR-XCH-6eb0722e-5
0.324
MAK-UNK-30aad1f1-7
0.324
MAR-TRE-f6f5f473-36
0.324
BAR-COM-21d20d65-9
0.324
MAR-TRE-74c6519b-68
0.324
ALE-MCD-4ac17b19-1
0.324
WIL-UNI-5578df48-28
0.324
TAM-UNI-c140e31a-19
0.323
DAR-DIA-23aa0b97-5
0.323
ANN-UNI-26382800-4
0.323
JOR-UNI-61e7b1d5-2
0.323
WAR-XCH-eb7b662f-5
0.323
WAR-XCH-eb7b662f-1
0.323
DAR-DIA-23aa0b97-14
0.323
JAN-GHE-83b26c96-19
0.323
WAR-XCH-eb7b662f-7
0.323
JOR-UNI-2fc98d0b-7
0.323
DAR-DIA-eace69ff-36
0.322
WIL-UNI-5578df48-32
0.321
WAR-XCH-6eb0722e-4
0.321
BAR-COM-5694a99d-5
0.321
MAK-UNK-d1e89583-7
0.319
ISA-SCH-8e98219b-1
0.319
DAR-DIA-842b4336-1
0.319
WAR-XCH-6eb0722e-1
0.318