Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1-c1ccncc1NC(=O)Nc1ccccc1 |
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-1
0.632
MAK-UNK-129dcd6f-8
0.612
MAK-UNK-129dcd6f-7
0.603
MAK-UNK-129dcd6f-5
0.588
ALE-HEI-f28a35b5-1
0.576
TRY-UNI-714a760b-4
0.576
WIL-UNI-5578df48-10
0.531
MAK-UNK-129dcd6f-3
0.493
WIL-UNI-5578df48-12
0.485
WIL-UNI-5578df48-11
0.485
HAN-NEW-5f56c3bc-1
0.469
MAK-UNK-129dcd6f-15
0.466
DAR-DIA-03336633-11
0.463
TRY-UNI-714a760b-8
0.462
AAR-POS-d2a4d1df-11
0.458
WIL-UNI-5578df48-9
0.446
SID-ELM-2583a2cd-11
0.443
SID-ELM-2583a2cd-22
0.443
SID-ELM-2583a2cd-20
0.437
MAK-UNK-129dcd6f-18
0.436
MAK-UNK-129dcd6f-2
0.434
WIL-UNI-5578df48-13
0.423
SID-ELM-2583a2cd-17
0.423
MAK-UNK-129dcd6f-17
0.421
MAK-UNK-ae34c249-4
0.419
MAK-UNK-30aad1f1-15
0.418
DAR-DIA-03336633-1
0.417
HAN-NEW-5f56c3bc-3
0.417
SID-ELM-8b394441-3
0.415
SID-ELM-8b394441-1
0.415
MAK-UNK-30aad1f1-4
0.415
MAK-UNK-129dcd6f-16
0.410
SID-ELM-2583a2cd-8
0.403
SID-ELM-2583a2cd-10
0.403
SID-ELM-b654bfa2-2
0.400
SID-ELM-2583a2cd-6
0.400
SID-ELM-8b394441-6
0.400
SID-ELM-2583a2cd-9
0.397
SID-ELM-b654bfa2-3
0.394
SID-ELM-8b394441-5
0.391
WAR-XCH-b0339bbe-9
0.391
SID-ELM-8b394441-7
0.389
SID-ELM-2583a2cd-7
0.388
ANU-UNK-2781581f-2
0.388
SID-ELM-b654bfa2-1
0.386
SID-ELM-2583a2cd-5
0.385
MAK-UNK-f203cb68-13
0.384
MAK-UNK-f203cb68-6
0.369
MAK-UNK-f203cb68-8
0.369
PET-SGC-0f1d26ed-1
0.368
MAK-UNK-37f1d6fa-4
0.368
DAR-DIA-fc970077-9
0.368
EDJ-MED-3c65e9ce-3
0.367
PET-SGC-0f1d26ed-2
0.365
TRY-UNI-714a760b-12
0.356
JAG-UCB-cedd89ab-8
0.356
MAK-UNK-6435e6c2-8
0.356
AAR-POS-d2a4d1df-3
0.356
MAT-POS-bb423b95-3
0.354
ALP-POS-0c2c77e1-1
0.354
BEN-DND-93268d01-15
0.352
MAX-MCD-16e3709a-1
0.350
MAK-UNK-de8f6d00-6
0.347
SID-ELM-2583a2cd-14
0.347
SID-ELM-b654bfa2-22
0.346
BAR-COM-5694a99d-2
0.346
TRY-UNI-714a760b-24
0.338
SAD-SAT-689b7d5a-5
0.338
DAR-DIA-0cde14eb-8
0.338
MAK-UNK-129dcd6f-4
0.337
MAK-UNK-30aad1f1-9
0.333
SID-ELM-b654bfa2-18
0.333
GIA-UNK-3f36037a-7
0.333
SID-ELM-b654bfa2-4
0.333
MAK-UNK-f203cb68-5
0.333
RED-SAT-26a928c9-1
0.333
ANU-UNK-2781581f-1
0.333
SID-ELM-8b394441-12
0.333
ALP-POS-ddb41b15-7
0.329
MAR-TRE-9d18ae8c-52
0.329
DAR-DIA-0cde14eb-9
0.329
SID-ELM-8b394441-8
0.329
AAR-UNI-c25c2f1e-40
0.329
WIL-UNI-5578df48-6
0.329
DAR-DIA-0cde14eb-5
0.325
ROD-LAS-d5538ff9-9
0.325
SID-ELM-b654bfa2-6
0.325
DAR-DIA-03336633-15
0.324
MAK-UNK-d1e89583-4
0.324
TRY-UNI-714a760b-5
0.324
DAR-DIA-0cde14eb-6
0.321
DAR-DIA-0cde14eb-7
0.321
MAK-UNK-129dcd6f-12
0.321
SID-ELM-b654bfa2-7
0.321
SID-ELM-8b394441-15
0.321
SID-ELM-8b394441-14
0.321
AAR-UNI-c25c2f1e-31
0.321
WIL-UNI-5578df48-5
0.321
MAK-UNK-de8f6d00-1
0.320
BEN-DND-031a96cc-8
0.319