Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1cnccc1NC(=O)C(F)(F)F |
MW: | 324.08 |
Fraction sp3: | 0.07 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 83.12 |
cLogP: | 3.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Perhalo_ketone
trifluroacetate_amide
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-10
0.683
TRY-UNI-714a760b-4
0.524
ALE-HEI-f28a35b5-1
0.524
MAK-UNK-30aad1f1-15
0.494
MAK-UNK-129dcd6f-6
0.485
WIL-UNI-5578df48-11
0.465
AAR-POS-d2a4d1df-11
0.459
MAK-UNK-129dcd6f-18
0.456
WIL-UNI-5578df48-9
0.429
MAK-UNK-129dcd6f-15
0.429
HAN-NEW-5f56c3bc-1
0.426
SID-ELM-2583a2cd-22
0.425
TRY-UNI-714a760b-8
0.420
SID-ELM-8b394441-1
0.418
SID-ELM-b654bfa2-1
0.408
WIL-UNI-5578df48-13
0.407
MAK-UNK-129dcd6f-1
0.407
SID-ELM-2583a2cd-10
0.405
SID-ELM-2583a2cd-11
0.405
MAK-UNK-129dcd6f-8
0.405
MAK-UNK-129dcd6f-17
0.405
SID-ELM-b654bfa2-2
0.403
HAN-NEW-5f56c3bc-3
0.402
DAR-DIA-03336633-1
0.402
SID-ELM-2583a2cd-20
0.400
SID-ELM-b654bfa2-3
0.397
SID-ELM-8b394441-3
0.397
DAR-DIA-03336633-11
0.395
SID-ELM-2583a2cd-8
0.387
SID-ELM-2583a2cd-17
0.387
MAK-UNK-d1e89583-4
0.386
MAK-UNK-30aad1f1-4
0.384
MAK-UNK-129dcd6f-7
0.383
SID-ELM-2583a2cd-9
0.382
MAK-UNK-129dcd6f-16
0.378
WAR-XCH-b0339bbe-9
0.378
SID-ELM-8b394441-5
0.375
SID-ELM-8b394441-7
0.373
SID-ELM-2583a2cd-5
0.368
SID-ELM-8b394441-6
0.365
SID-ELM-2583a2cd-6
0.362
SID-ELM-2583a2cd-7
0.352
SID-ELM-b654bfa2-22
0.350
MAK-UNK-de8f6d00-6
0.350
MAK-UNK-37f1d6fa-4
0.343
SID-ELM-8b394441-15
0.342
SID-ELM-b654bfa2-7
0.342
SAD-SAT-689b7d5a-5
0.341
PET-SGC-0f1d26ed-1
0.338
SID-ELM-b654bfa2-17
0.338
SID-ELM-b654bfa2-4
0.338
MAK-UNK-ae34c249-4
0.337
PET-SGC-0f1d26ed-2
0.333
DAR-DIA-fc970077-9
0.333
WIL-UNI-5578df48-6
0.333
SID-ELM-2583a2cd-14
0.333
SID-ELM-8b394441-8
0.333
JIA-UNI-12b1f9ae-1
0.329
SID-ELM-b654bfa2-6
0.329
SID-ELM-8b394441-13
0.329
SID-ELM-b654bfa2-19
0.329
DAR-DIA-0cde14eb-7
0.325
MAK-UNK-129dcd6f-12
0.325
SID-ELM-b654bfa2-5
0.325
TRY-UNI-714a760b-12
0.325
JAG-UCB-cedd89ab-8
0.325
MAK-UNK-d1e89583-2
0.324
MAK-UNK-30aad1f1-9
0.322
MAK-UNK-129dcd6f-5
0.321
JAN-GHE-83b26c96-23
0.321
SID-ELM-8b394441-12
0.321
SID-ELM-8b394441-9
0.321
SID-ELM-b654bfa2-18
0.321
WIL-UNI-5578df48-7
0.321
GIA-UNK-3f36037a-7
0.318
MAK-UNK-10dfa458-31
0.318
WIL-UNI-5578df48-15
0.316
ABI-SAT-4d06482b-1
0.316
JAN-GHE-83b26c96-2
0.313
MAK-UNK-129dcd6f-3
0.313
ROD-LAS-d5538ff9-9
0.313
MAX-MCD-16e3709a-1
0.312
MAK-UNK-30aad1f1-17
0.312
MAK-UNK-129dcd6f-4
0.310
SID-ELM-8b394441-11
0.309
TRY-UNI-714a760b-24
0.309
SID-ELM-8b394441-14
0.309
CHR-SOS-363cfb78-3
0.307
MAK-UNK-30aad1f1-16
0.306
BEN-DND-031a96cc-8
0.306
WAR-XCH-79d12f6e-3
0.306
SID-ELM-8b394441-10
0.305
IAN-BAS-df1706d7-1
0.305
WAR-XCH-79d12f6e-1
0.303
WAR-XCH-b0339bbe-12
0.303
MAR-TRE-9d18ae8c-52
0.302
BAR-COM-5694a99d-2
0.302
BAR-COM-5694a99d-3
0.302
SAD-SAT-689b7d5a-8
0.301
TAM-UNI-c140e31a-19
0.300