Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1-c1cncc(NC(=O)Nc2ccccc2)c1 |
MW: | 347.378 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 96.01 |
cLogP: | 3.746 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-129dcd6f-6
0.603
MAK-UNK-129dcd6f-3
0.581
MAK-UNK-129dcd6f-8
0.566
MAK-UNK-129dcd6f-2
0.538
MAK-UNK-129dcd6f-1
0.506
MAK-UNK-129dcd6f-16
0.458
SID-ELM-2583a2cd-6
0.457
AAR-POS-d2a4d1df-11
0.448
SID-ELM-2583a2cd-7
0.444
TRY-UNI-714a760b-4
0.444
ALE-HEI-f28a35b5-1
0.444
SID-ELM-2583a2cd-5
0.443
MAK-UNK-129dcd6f-5
0.434
WIL-UNI-5578df48-10
0.416
MAK-UNK-129dcd6f-17
0.400
WIL-UNI-5578df48-11
0.400
WIL-UNI-5578df48-12
0.383
SID-ELM-2583a2cd-11
0.383
TRY-UNI-714a760b-8
0.377
MAK-UNK-129dcd6f-15
0.372
MAT-POS-bb423b95-3
0.372
ALP-POS-0c2c77e1-1
0.372
HAN-NEW-5f56c3bc-1
0.364
DAR-DIA-03336633-11
0.362
MAK-UNK-30aad1f1-3
0.360
WIL-UNI-5578df48-9
0.356
WIL-UNI-5578df48-13
0.356
MAK-UNK-30aad1f1-16
0.352
EDJ-MED-3c65e9ce-3
0.352
MAK-UNK-129dcd6f-18
0.352
SID-ELM-2583a2cd-8
0.349
SID-ELM-2583a2cd-22
0.349
MAK-UNK-ae34c249-4
0.349
ALP-POS-ddb41b15-7
0.348
WAR-XCH-b0339bbe-9
0.347
SID-ELM-2583a2cd-9
0.345
SID-ELM-2583a2cd-20
0.345
MAK-UNK-129dcd6f-12
0.341
ANU-UNK-2781581f-2
0.341
DAR-DIA-03336633-1
0.340
HAN-NEW-5f56c3bc-3
0.340
DAR-DIA-23aa0b97-15
0.338
MAK-UNK-30aad1f1-15
0.337
MAK-UNK-30aad1f1-4
0.337
MAR-TRE-9d18ae8c-52
0.333
SID-ELM-2583a2cd-10
0.333
MAK-UNK-f203cb68-7
0.333
DAR-DIA-fc970077-9
0.333
SID-ELM-2583a2cd-17
0.333
MAK-UNK-de8f6d00-7
0.330
SID-ELM-8b394441-6
0.329
SID-ELM-b654bfa2-2
0.329
MAK-UNK-f203cb68-13
0.327
AAR-UNI-c25c2f1e-31
0.326
SID-ELM-b654bfa2-3
0.325
SID-ELM-8b394441-7
0.321
SID-ELM-8b394441-5
0.321
CHR-SOS-363cfb78-1
0.321
SID-ELM-8b394441-1
0.321
SID-ELM-8b394441-3
0.321
MAK-UNK-10dfa458-31
0.319
MAK-UNK-37f1d6fa-4
0.318
WIL-UNI-5578df48-15
0.318
SID-ELM-2583a2cd-14
0.318
MAK-UNK-37f1d6fa-3
0.317
SID-ELM-b654bfa2-1
0.317
ANN-UNI-26382800-3
0.316
WAR-XCH-eb7b662f-6
0.316
JOH-UNK-14e6adc5-2
0.316
CHR-SOS-363cfb78-2
0.314
AAR-UNI-c25c2f1e-65
0.314
MAK-UNK-d1e89583-7
0.312
WIL-UNI-5578df48-20
0.311
WIL-UNI-5578df48-14
0.310
SID-ELM-b654bfa2-7
0.310
SID-ELM-8b394441-15
0.310
WIL-UNI-5578df48-18
0.308
BAR-COM-0f94fc3d-40
0.307
PET-SGC-0f1d26ed-1
0.307
WIL-UNI-5578df48-21
0.305
MAK-UNK-129dcd6f-9
0.304
PET-SGC-0f1d26ed-2
0.302
AAR-UNI-c25c2f1e-40
0.302
MAK-UNK-30aad1f1-2
0.301
BEN-DND-a7517465-7
0.301
JAN-GHE-83b26c96-19
0.300
DAR-DIA-23aa0b97-14
0.300
MAK-UNK-de8f6d00-6
0.300
WIL-UNI-5578df48-26
0.300
CHA-MCP-85291e1d-1
0.300
AAR-POS-d2a4d1df-3
0.300
WAR-XCH-eb7b662f-7
0.300
SWA-SYN-59528602-3
0.300
MAK-UNK-6435e6c2-8
0.300
JOR-UNI-2fc98d0b-7
0.300
MAK-UNK-f203cb68-8
0.299
MAK-UNK-30aad1f1-17
0.299
MAK-UNK-129dcd6f-4
0.298
WES-WAB-6f418dc2-1
0.298
DAR-DIA-03336633-15
0.298