Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1ccc(C(=O)NCCc2c[nH]c3ccc(F)cc23)nc1 |
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-3
0.685
MAK-UNK-37f1d6fa-7
0.652
MAK-UNK-37f1d6fa-4
0.638
MAK-UNK-37f1d6fa-6
0.588
MAK-UNK-37f1d6fa-1
0.576
AAR-POS-d2a4d1df-2
0.525
MAK-UNK-be5ffcbc-8
0.506
NAU-LAT-81109c57-8
0.506
NAU-LAT-81109c57-1
0.483
NAU-LAT-81109c57-2
0.462
MAK-UNK-be5ffcbc-1
0.452
FRA-LAB-04e32718-1
0.448
NAU-LAT-81109c57-4
0.448
MAK-UNK-be5ffcbc-7
0.438
MAK-UNK-10572812-17
0.432
MAK-UNK-be5ffcbc-3
0.429
MAK-UNK-10572812-16
0.425
MAK-UNK-10572812-14
0.421
SAN-PRS-3c4a6997-4
0.419
MAK-UNK-10572812-15
0.416
MAK-UNK-10572812-9
0.414
MAK-UNK-10572812-8
0.412
MAK-UNK-129dcd6f-17
0.404
MAK-UNK-10572812-7
0.403
MAK-UNK-10572812-3
0.390
MAR-TRE-92684b97-67
0.389
MAR-TRE-c317dd82-56
0.384
MAK-UNK-10572812-6
0.380
ABI-SAT-30e287c1-2
0.379
ASH-UNK-40b46b30-7
0.371
MAR-TRE-85681e92-60
0.367
MAR-TRE-be9ff7d2-73
0.360
SAN-PRS-3c4a6997-1
0.356
MAR-TRE-7f7bb9f0-83
0.355
DAR-DIA-eace69ff-36
0.345
MAR-UCB-195bc32d-16
0.344
JOH-MSK-a63bdd1d-4
0.344
MAT-GIT-deadff56-1
0.344
DUN-NEW-f8ce3686-12
0.344
JOH-MEM-4bb7e4cc-1
0.344
AAR-POS-d2a4d1df-11
0.341
SID-ELM-b654bfa2-2
0.341
MAK-UNK-30aad1f1-17
0.340
MAR-TRE-e82e6c98-51
0.337
MAK-UNK-de8f6d00-8
0.336
JOH-MSK-35a8745a-1
0.333
MAR-UCB-195bc32d-21
0.333
SID-ELM-b654bfa2-18
0.333
ALE-ACE-2610ee4d-1
0.333
MAR-TRE-4f39ef4a-26
0.327
MAK-UNK-30aad1f1-2
0.327
ROM-UNK-ef52a3c9-4
0.324
MAR-TRE-4f781e27-82
0.324
AAR-UNI-c25c2f1e-79
0.323
MAK-UNK-ae34c249-3
0.321
MAR-TRE-fd17a9b8-41
0.321
MAK-UNK-129dcd6f-8
0.320
SID-ELM-b654bfa2-17
0.320
MAR-TRE-04c86cea-51
0.318
JOH-MSK-a63bdd1d-5
0.316
SID-ELM-2583a2cd-10
0.316
SID-ELM-b654bfa2-1
0.315
SID-ELM-b654bfa2-19
0.312
SID-ELM-8b394441-13
0.312
SID-ELM-8b394441-6
0.312
NAU-LAT-81109c57-5
0.311
SAN-PRS-3c4a6997-2
0.311
GAB-REV-4a4e2ff3-14
0.311
MAK-UNK-72b7ba6b-1
0.310
MAK-UNK-176ca439-5
0.310
TAM-UNI-c140e31a-3
0.310
WIL-UNI-5578df48-14
0.309
SID-ELM-8b394441-14
0.309
JOH-MSK-a63bdd1d-6
0.309
NIC-UNI-0cb6411b-1
0.308
TAM-UNI-c140e31a-2
0.308
TAM-UNI-c140e31a-22
0.308
MAR-TRE-fd17a9b8-1
0.307
GAB-REV-4a4e2ff3-3
0.306
AAR-UNI-c25c2f1e-72
0.306
SID-ELM-8b394441-10
0.306
MAK-UNK-be5ffcbc-9
0.305
MAR-TRE-3724962b-29
0.304
SID-ELM-8b394441-5
0.304
MAR-TRE-fd17a9b8-18
0.304
SID-ELM-2583a2cd-8
0.302
MAR-TRE-74c6519b-100
0.302
SID-ELM-2583a2cd-9
0.299
AAR-UNI-c25c2f1e-26
0.298
MAR-TRE-fd17a9b8-35
0.298
HAN-NEW-5f56c3bc-1
0.297
NAU-LAT-81109c57-3
0.296
MAK-UNK-10572812-2
0.296
SID-ELM-b654bfa2-7
0.296
SID-ELM-8b394441-15
0.296
SID-ELM-2583a2cd-5
0.295
SID-ELM-b654bfa2-3
0.295
MAK-UNK-de8f6d00-7
0.294
MAK-UNK-10dfa458-15
0.294
SID-ELM-b654bfa2-4
0.293