Molecular Properties | |
SMILES: | COCCO[C@@]1(C(=O)Nc2cncc3ccccc23)CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 460.09 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 94.59 |
cLogP: | 3.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Activated haloaromatics
Long aliphatic chain
PET-UNK-0d6841fa-5
0.840
MIC-UNK-ea4eb352-1
0.761
EDJ-MED-211392e3-1
0.761
PET-UNK-022eab87-2
0.653
PET-UNK-3bb57da2-3
0.637
EDJ-MED-70ab3faf-1
0.629
PET-UNK-0d6841fa-7
0.600
PET-UNK-4b4f2bb7-6
0.598
PET-UNK-407a74a5-6
0.590
MIC-UNK-ea4eb352-5
0.584
PET-UNK-ad758083-3
0.579
PET-UNK-1abb40f2-1
0.578
PET-UNK-1abb40f2-3
0.578
PET-UNK-7bb24635-1
0.575
PET-UNK-ad758083-1
0.574
PET-UNK-4b4f2bb7-9
0.573
PET-UNK-407a74a5-1
0.573
MIC-UNK-ea4eb352-9
0.571
PET-UNK-4b4f2bb7-5
0.571
ALP-POS-6f6ae286-2
0.571
PET-UNK-ab76d8f6-1
0.570
EDJ-MED-211392e3-2
0.570
PET-UNK-ad758083-4
0.569
PET-UNK-1abb40f2-4
0.567
PET-UNK-4b4f2bb7-8
0.567
PET-UNK-1abb40f2-2
0.567
PET-UNK-4b4f2bb7-7
0.562
PET-UNK-ad758083-2
0.554
PET-UNK-e5587e5d-1
0.550
PET-UNK-824b5c6a-2
0.546
PET-UNK-09a29654-4
0.545
PET-UNK-c0891748-3
0.543
PET-UNK-c0891748-9
0.543
PET-UNK-3bb57da2-1
0.541
LUO-POS-e3baa4d7-1
0.541
PET-UNK-0cc03aae-1
0.541
PET-UNK-4880b143-1
0.541
MIC-UNK-54748b58-2
0.541
MAT-POS-c88128cb-3
0.541
ED_-GRI-5b13fbe2-29
0.540
MAR-UCB-6ab2ec87-3
0.539
ED_-GRI-5b13fbe2-72
0.537
EDG-MED-4c68219f-10
0.537
RAL-THA-58fba2bc-4
0.537
EDG-MED-4c68219f-16
0.536
PET-UNK-5ad1c31a-10
0.536
PET-UNK-5ad1c31a-4
0.536
PET-UNK-5ad1c31a-9
0.536
MIC-UNK-ddc6ad53-2
0.536
PET-UNK-5ad1c31a-3
0.536
EDJ-MED-211392e3-3
0.536
PET-UNK-824b5c6a-1
0.533
PET-UNK-4b4f2bb7-2
0.532
PET-UNK-7bb24635-3
0.532
PET-UNK-5d7c542f-4
0.532
PET-UNK-0d6841fa-6
0.532
PET-UNK-09a29654-5
0.531
PET-UNK-5d7c542f-3
0.531
PET-UNK-49566573-1
0.527
PET-UNK-3bb57da2-4
0.526
PET-UNK-0cc03aae-3
0.526
ED_-GRI-5b13fbe2-8
0.526
EDJ-MED-d08626de-2
0.524
PET-UNK-29afea89-2
0.524
EDG-MED-0e5afe9d-3
0.524
EDJ-MED-d08626de-1
0.524
PET-UNK-4b4f2bb7-3
0.523
PET-UNK-7bb24635-2
0.523
PET-UNK-1b92fa34-5
0.519
PET-UNK-ab76d8f6-6
0.519
MIC-UNK-ddc6ad53-3
0.518
PET-UNK-0cc03aae-5
0.518
PET-UNK-3bb57da2-2
0.518
PET-UNK-d9de6a0b-2
0.518
PET-UNK-0cc03aae-4
0.517
PET-UNK-ab76d8f6-3
0.514
MIC-UNK-5d22d78d-2
0.513
ED_-GRI-5b13fbe2-30
0.513
PET-UNK-0d6841fa-1
0.513
ED_-GRI-5b13fbe2-33
0.513
ED_-GRI-5b13fbe2-48
0.513
EDG-MED-4c68219f-15
0.513
ED_-GRI-5b13fbe2-59
0.513
PET-UNK-0cc03aae-2
0.513
ED_-GRI-5b13fbe2-62
0.513
EDG-MED-4c68219f-12
0.509
EDG-MED-4c68219f-6
0.509
RAL-THA-58fba2bc-2
0.509
MIC-UNK-ddc6ad53-1
0.509
ED_-GRI-5b13fbe2-68
0.509
ED_-GRI-5b13fbe2-19
0.508
ED_-GRI-5b13fbe2-15
0.508
PET-UNK-b78139fa-16
0.505
MAT-POS-83a7b0a0-1
0.505
MAT-POS-89bd6af1-4
0.505
EDJ-MED-b1cef252-1
0.505
PET-UNK-acd70dee-1
0.504
PET-UNK-acd70dee-5
0.504
PET-UNK-0d6841fa-2
0.504
PET-UNK-09a29654-6
0.504