Molecular Properties | |
SMILES: | N#CCC(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1 |
MW: | 335.08 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.78 |
cLogP: | 4.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOH-UNI-ee5ed7c8-6
1.000
MIC-UNK-c66144cb-2
0.640
MIC-UNK-c66144cb-1
0.632
ALP-POS-3b848b35-4
0.618
MIC-UNK-c66144cb-3
0.618
VLA-UNK-9a7dc93f-7
0.593
EDJ-MED-cf4b0d25-4
0.590
MAT-POS-fce787c2-11
0.568
MIC-UNK-6ab519a7-1
0.563
NIR-THE-590dedc7-1
0.563
NAU-LAT-a5c7d7cb-2
0.563
MIC-UNK-5a93dd5f-10
0.563
MIC-UNK-d36ab305-4
0.562
MAK-UNK-ffc90da7-7
0.556
MIC-UNK-d36ab305-1
0.551
MAK-UNK-c749d764-6
0.543
MAK-UNK-ffc90da7-1
0.543
MIC-UNK-5a93dd5f-1
0.538
MIC-UNK-5a93dd5f-2
0.538
MIC-UNK-5a93dd5f-8
0.533
JOH-UNI-ee5ed7c8-7
0.528
JOH-UNI-3fc3434e-7
0.528
EDJ-MED-ee07cf00-4
0.526
MIC-UNK-5a93dd5f-11
0.521
ADA-UCB-6c2cb422-1
0.519
MIC-UNK-5a93dd5f-4
0.516
MIC-UNK-5a93dd5f-6
0.516
EDJ-MED-cf4b0d25-3
0.510
EDJ-MED-ee07cf00-5
0.510
EDJ-MED-cf4b0d25-5
0.505
EDJ-MED-cf4b0d25-1
0.500
ALP-POS-f13221e1-3
0.500
MAT-POS-fce787c2-8
0.500
MIC-UNK-5a93dd5f-9
0.500
EDJ-MED-ee07cf00-12
0.495
MIC-UNK-5a93dd5f-3
0.495
EDJ-MED-ee07cf00-18
0.490
MAK-UNK-f481d203-4
0.487
MAK-UNK-919546f0-2
0.487
MAK-UNK-f481d203-3
0.487
MAK-UNK-ffc90da7-4
0.485
MAK-UNK-c749d764-22
0.485
MIC-UNK-5a93dd5f-12
0.485
MIC-UNK-5a93dd5f-5
0.485
NAU-LAT-2fed8305-1
0.482
EDJ-MED-ee07cf00-8
0.481
MIC-UNK-5a93dd5f-7
0.480
PET-UNK-1320d94d-7
0.476
PET-UNK-1320d94d-8
0.476
PET-UNK-1320d94d-21
0.475
PET-UNK-1320d94d-22
0.475
EDJ-MED-ee07cf00-9
0.472
ALP-POS-f13221e1-2
0.471
EDJ-MED-ee07cf00-10
0.471
MAT-POS-1f3f1a6f-1
0.471
MAT-POS-fce787c2-4
0.471
MAT-POS-fce787c2-3
0.471
ALP-POS-ddb41b15-6
0.471
MAT-POS-de59a476-1
0.471
EDJ-MED-ee07cf00-1
0.467
PET-UNK-1320d94d-6
0.467
EDJ-MED-ee07cf00-16
0.467
PET-UNK-1320d94d-5
0.467
MAT-POS-d8472c4f-2
0.467
PET-UNK-1320d94d-2
0.466
PET-UNK-1320d94d-1
0.466
EDJ-MED-ee07cf00-15
0.462
MAT-POS-de59a476-5
0.462
EDJ-MED-cf4b0d25-2
0.459
MAT-POS-a13804f0-4
0.458
EDJ-MED-ee07cf00-7
0.458
EDJ-MED-ee07cf00-11
0.458
PET-UNK-1320d94d-27
0.458
PET-UNK-1320d94d-28
0.458
PET-UNK-ac320b15-5
0.458
PET-UNK-ac320b15-7
0.458
PET-UNK-ac320b15-9
0.458
PET-UNK-ac320b15-10
0.458
MAT-POS-8293a91a-2
0.458
MAT-POS-8293a91a-6
0.458
MAT-POS-8293a91a-7
0.458
PET-UNK-ac320b15-6
0.458
PET-UNK-ac320b15-8
0.458
MAT-POS-7174c657-5
0.458
MAT-POS-7174c657-6
0.458
RAL-THA-2d450e86-30
0.458
MAT-POS-fce787c2-2
0.458
DAR-DIA-0cde14eb-60
0.457
DAR-DIA-0cde14eb-57
0.457
PET-UNK-1e7f2e90-1
0.457
MAT-POS-cc05818f-1
0.456
RAL-THA-2d450e86-28
0.456
PET-UNK-dd44aeb6-3
0.456
RAL-THA-2d450e86-17
0.456
MAT-POS-1f3f1a6f-3
0.456
MIC-UNK-16ccb665-3
0.456
MAT-POS-de59a476-2
0.455
MAK-UNK-c749d764-32
0.455
MAT-POS-fce787c2-5
0.455
EDJ-MED-ee07cf00-14
0.455