Molecular Properties | |
SMILES: | NC(C(=O)Nc1cncc2ccccc12)c1ccccc1 |
MW: | 277.12 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 68.01 |
cLogP: | 2.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
MAK-UNK-f481d203-4
1.000
MAK-UNK-919546f0-2
1.000
MAT-POS-1f3f1a6f-1
0.667
LON-WEI-af038623-3
0.525
VLA-UNK-9a7dc93f-7
0.520
RAL-THA-2d450e86-1
0.507
MAT-POS-de59a476-1
0.507
MAT-POS-fce787c2-4
0.507
MAT-POS-fce787c2-3
0.507
EDJ-MED-cf4b0d25-4
0.500
MAT-POS-fce787c2-8
0.500
MIC-UNK-5a93dd5f-10
0.494
MIC-UNK-6ab519a7-1
0.494
NIR-THE-590dedc7-1
0.494
NAU-LAT-a5c7d7cb-2
0.494
MAT-POS-fce787c2-11
0.493
JOH-UNI-3fc3434e-6
0.487
DAR-DIA-0cde14eb-57
0.487
JOH-UNI-ee5ed7c8-6
0.487
MAT-POS-fce787c2-5
0.487
MAT-POS-de59a476-2
0.487
DAR-DIA-0cde14eb-55
0.481
VLA-UNK-9a7dc93f-6
0.481
MAT-POS-1f3f1a6f-2
0.481
RAL-THA-2d450e86-36
0.479
MAK-UNK-919546f0-4
0.478
MIC-UNK-5a93dd5f-2
0.471
MAK-UNK-ffc90da7-7
0.471
MIC-UNK-5a93dd5f-1
0.471
DAR-DIA-0cde14eb-56
0.469
DAR-DIA-0cde14eb-58
0.469
MAT-POS-1f3f1a6f-3
0.468
MIC-UNK-5a93dd5f-8
0.465
MIC-UNK-d36ab305-1
0.464
VLA-UNK-9a7dc93f-5
0.463
MIC-UNK-d36ab305-4
0.459
RAL-THA-2d450e86-37
0.458
RAL-THA-2d450e86-38
0.458
MAT-POS-de59a476-5
0.457
MAK-UNK-c749d764-11
0.455
DAR-DIA-0cde14eb-60
0.452
MIC-UNK-5a93dd5f-6
0.449
MIC-UNK-5a93dd5f-4
0.449
MIC-UNK-5a93dd5f-9
0.449
MAK-UNK-c749d764-32
0.449
MIC-UNK-c66144cb-2
0.448
MAT-POS-de59a476-4
0.446
EDJ-MED-ee07cf00-4
0.444
RAL-THA-2d450e86-3
0.444
MAK-UNK-919546f0-5
0.444
RYA-UNI-14580791-1
0.444
MIC-UNK-c66144cb-1
0.443
MAK-UNK-ffc90da7-1
0.443
MAK-UNK-c749d764-6
0.443
MAT-POS-fce787c2-10
0.442
NAU-LAT-2fed8305-1
0.442
MAT-POS-1f3f1a6f-4
0.440
VLA-UCB-05e51b3f-1
0.440
NAU-LAT-a5c7d7cb-1
0.440
ADA-UCB-6c2cb422-1
0.440
ALP-POS-6747fa38-1
0.440
BEN-DND-6de5dfa0-11
0.440
NIR-THE-d08c3b48-1
0.440
MIC-UNK-5a93dd5f-11
0.440
RAL-THA-2d450e86-7
0.438
RAL-THA-2d450e86-2
0.438
MIC-UNK-5a93dd5f-5
0.435
RAL-THA-2d450e86-40
0.434
RAL-THA-2d450e86-39
0.434
PET-UNK-c9c1e0d8-1
0.434
MAT-POS-afd4d4fd-3
0.434
ALP-POS-3b848b35-4
0.433
MIC-UNK-c66144cb-3
0.433
RAL-THA-2d450e86-30
0.432
MAT-POS-fce787c2-2
0.432
RAL-THA-2d450e86-35
0.432
RAL-THA-2d450e86-16
0.432
DAR-DIA-6a508060-11
0.432
MIC-UNK-5a93dd5f-7
0.430
MIC-UNK-5a93dd5f-3
0.430
RAL-THA-2d450e86-23
0.429
EDJ-MED-cf4b0d25-3
0.429
NAU-LAT-2fed8305-5
0.429
MAT-POS-281d2ee9-1
0.429
ALP-POS-ddb41b15-6
0.429
RAL-THA-2d450e86-4
0.427
UNK-UNK-2ede4078-34
0.427
EDJ-MED-ee07cf00-9
0.424
MAT-POS-afd4d4fd-1
0.423
RAL-THA-2d450e86-27
0.423
RAL-THA-2d450e86-19
0.423
RAL-THA-2d450e86-20
0.423
ALP-POS-f13221e1-3
0.423
MAT-POS-de59a476-6
0.422
NAU-LAT-2fed8305-9
0.421
RAL-THA-2d450e86-5
0.421
NAU-LAT-2fed8305-6
0.421
MAT-POS-23a8a11a-1
0.421
RAL-THA-2d450e86-32
0.421
RAL-THA-2d450e86-33
0.421