Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Nc1ccccc1 |
MW: | 227.267 |
Fraction sp3: | 0.08 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 54.02 |
cLogP: | 3.03402 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1130395550 |
Enamine Extended REAL: | s_2430____7867050____4862808 |
MolPort: | MolPort-047-312-771 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-04-27 |
TRY-UNI-714a760b-4
1.000
MAK-UNK-129dcd6f-15
0.700
MAK-UNK-129dcd6f-18
0.646
MAK-UNK-129dcd6f-17
0.635
TRY-UNI-714a760b-12
0.621
JAG-UCB-cedd89ab-8
0.621
MAK-UNK-129dcd6f-16
0.615
TRY-UNI-714a760b-24
0.581
WIL-UNI-5578df48-10
0.576
MAK-UNK-129dcd6f-6
0.576
DAR-DIA-0cde14eb-5
0.554
DAR-DIA-0cde14eb-6
0.545
DAR-DIA-0cde14eb-7
0.545
DAR-DIA-0cde14eb-8
0.545
CHR-SOS-363cfb78-2
0.540
TRY-UNI-714a760b-5
0.534
HAN-NEW-5f56c3bc-1
0.534
AAR-POS-d2a4d1df-3
0.531
MAK-UNK-6435e6c2-8
0.531
DAR-DIA-0cde14eb-9
0.529
TRY-UNI-714a760b-8
0.525
WIL-UNI-5578df48-11
0.524
WIL-UNI-5578df48-12
0.524
TRY-UNI-714a760b-17
0.517
AHN-SAT-202241f6-1
0.517
ALE-HEI-f28a35b5-2
0.517
DAR-DIA-0cde14eb-65
0.515
DAR-DIA-0cde14eb-68
0.515
ABI-SAT-4d06482b-1
0.508
DAR-DIA-0cde14eb-66
0.507
DAR-DIA-0cde14eb-67
0.507
SIM-DEM-f31d0e65-1
0.500
CHR-SOS-1f323c23-10
0.500
ASH-SAT-43770c7d-9
0.500
MAK-UNK-129dcd6f-12
0.500
ALE-HEI-f28a35b5-13
0.500
AAR-POS-d2a4d1df-11
0.500
BEN-DND-93268d01-3
0.500
CHR-SOS-363cfb78-7
0.493
MAK-UNK-129dcd6f-4
0.493
DAR-DIA-0cde14eb-69
0.493
ANU-UNK-2781581f-1
0.486
RED-SAT-26a928c9-1
0.486
CHR-SOS-1f323c23-7
0.485
BEN-DND-93268d01-14
0.484
MAK-UNK-6ca90168-27
0.481
CHR-SOS-1f323c23-4
0.478
WIL-UNI-5578df48-9
0.478
SID-ELM-2583a2cd-22
0.477
ERI-UCB-5b47150d-1
0.474
MAT-POS-590ac91e-1
0.474
MAT-POS-590ac91e-2
0.474
MAK-UNK-6ca90168-26
0.473
WIL-UNI-5578df48-13
0.472
MAK-UNK-129dcd6f-1
0.472
MAK-UNK-129dcd6f-8
0.471
BEN-DND-93268d01-2
0.470
JOH-UNI-abfda500-6
0.469
ANN-UNI-98d2bf15-1
0.469
ALE-HEI-f28a35b5-7
0.468
TRY-UNI-714a760b-11
0.468
SAM-UNK-2684b532-8
0.466
CHR-SOS-1f323c23-1
0.465
BEN-DND-93268d01-13
0.462
PED-UNI-8d53fd73-1
0.457
PED-UNI-5b7f1100-1
0.457
DRE-WAB-eb790b7a-1
0.457
DAN-RED-da448e80-1
0.457
SID-ELM-2583a2cd-11
0.455
MAT-POS-590ac91e-6
0.452
TRY-UNI-1fd04853-2
0.451
SID-ELM-8b394441-1
0.450
SID-ELM-8b394441-3
0.450
MAT-POS-590ac91e-13
0.450
SID-ELM-2583a2cd-20
0.448
ALE-HEI-f28a35b5-11
0.446
MAK-UNK-30aad1f1-15
0.446
MAK-UNK-129dcd6f-7
0.444
MAK-UNK-129dcd6f-9
0.444
MAT-POS-590ac91e-16
0.443
MAT-POS-5d20d11c-1
0.443
BEN-DND-93268d01-7
0.441
NAU-LAT-3f5f3993-2
0.439
GAB-REV-70cc3ca5-21
0.438
ALE-HEI-f28a35b5-3
0.438
DAR-DIA-0cde14eb-20
0.436
JAN-GHE-83b26c96-11
0.435
SID-ELM-2583a2cd-6
0.433
ERI-UCB-5b47150d-4
0.433
SID-ELM-2583a2cd-8
0.433
SID-ELM-2583a2cd-10
0.433
SID-ELM-2583a2cd-17
0.433
SID-ELM-b654bfa2-2
0.431
EDJ-MED-c9f55a56-1
0.431
SID-ELM-8b394441-6
0.431
SAM-UNK-2684b532-2
0.431
PET-SGC-6e7c5dc0-1
0.429
SID-ELM-2583a2cd-9
0.426
MAT-POS-590ac91e-11
0.426
ALE-HEI-f28a35b5-12
0.426