Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cc(F)ccc23)CNC(=O)c2ccc(Cl)cc21 |
MW: | 399.08 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 80.32 |
cLogP: | 3.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-f1807566-3
0.744
PET-UNK-f9b7ae87-8
0.723
PET-UNK-b38839dc-28
0.723
PET-UNK-f9b7ae87-9
0.716
PET-UNK-b38839dc-29
0.688
PET-UNK-e9bc7c59-8
0.680
PET-UNK-407a74a5-18
0.677
PET-UNK-e9bc7c59-9
0.660
PET-UNK-fe31e24a-3
0.660
PET-UNK-fe31e24a-4
0.660
PET-UNK-407a74a5-13
0.660
PET-UNK-f9b7ae87-7
0.657
PET-UNK-f9b7ae87-6
0.653
PET-UNK-f9b7ae87-3
0.653
PET-UNK-f9b7ae87-4
0.635
PET-UNK-b38839dc-27
0.635
PET-UNK-6e612674-1
0.633
PET-UNK-6e612674-9
0.633
PET-UNK-f9b7ae87-2
0.625
PET-UNK-e9bc7c59-7
0.621
PET-UNK-f9b7ae87-1
0.616
PET-UNK-b78139fa-14
0.608
PET-UNK-b566c0b0-1
0.584
PET-UNK-ad758083-3
0.577
PET-UNK-5d7c542f-1
0.574
ALP-POS-6f6ae286-3
0.574
PET-UNK-6e612674-13
0.573
PET-UNK-6e612674-5
0.573
PET-UNK-4b4f2bb7-5
0.569
ALP-POS-6f6ae286-2
0.569
PET-UNK-81b485b5-6
0.569
PET-UNK-81b485b5-20
0.569
PET-UNK-03fd2068-9
0.547
PET-UNK-407a74a5-9
0.544
PET-UNK-0d6841fa-3
0.541
PET-UNK-b566c0b0-9
0.527
PET-UNK-03fd2068-8
0.524
PET-UNK-6da3dcd8-15
0.517
PET-UNK-407a74a5-14
0.509
ALP-POS-6f6ae286-1
0.505
PET-UNK-7279c968-5
0.505
MAT-POS-c88128cb-13
0.505
PET-UNK-407a74a5-17
0.500
PET-UNK-bcc8fd08-6
0.500
JOH-UNI-06d7cc04-1
0.500
PET-UNK-407a74a5-15
0.500
PET-UNK-bcc8fd08-3
0.500
PET-UNK-03fd2068-11
0.495
PET-UNK-6e612674-10
0.495
PET-UNK-6e612674-2
0.495
PET-UNK-6da3dcd8-18
0.487
EDG-MED-b8f93667-3
0.486
PET-UNK-6da3dcd8-12
0.486
EDJ-MED-c3ea9889-6
0.486
PET-UNK-407a74a5-16
0.486
PET-UNK-407a74a5-8
0.485
JOH-UNI-06346b80-1
0.483
RAL-THA-176e263b-4
0.481
MAT-POS-22e8b45a-2
0.481
PET-UNK-407a74a5-10
0.472
JOH-UNI-e398da21-1
0.472
PET-UNK-f360ae44-7
0.470
PET-UNK-f360ae44-15
0.470
PET-UNK-407a74a5-11
0.468
PET-UNK-407a74a5-12
0.468
RAL-THA-176e263b-1
0.467
MAT-POS-22e8b45a-3
0.467
PET-UNK-407a74a5-3
0.467
EDG-MED-b8f93667-1
0.466
PET-UNK-6da3dcd8-14
0.464
PET-UNK-6e612674-3
0.459
PET-UNK-6e612674-11
0.459
PET-UNK-1abb40f2-3
0.458
PET-UNK-1abb40f2-1
0.458
PET-UNK-6e612674-4
0.451
PET-UNK-6e612674-12
0.451
PET-UNK-6da3dcd8-11
0.451
EDJ-MED-dac03e7f-5
0.450
EDG-MED-ee636701-4
0.449
PET-UNK-4d432d33-8
0.447
PET-UNK-4d432d33-3
0.447
EDG-MED-ee636701-2
0.447
PET-UNK-4d432d33-4
0.447
PET-UNK-4d432d33-7
0.447
PET-UNK-6da3dcd8-17
0.445
EDG-MED-b8f93667-5
0.444
MAT-POS-89e65850-1
0.444
MAT-POS-c7771779-2
0.444
PET-UNK-e9bc7c59-11
0.444
PET-UNK-6e612674-6
0.444
PET-UNK-6e612674-14
0.444
PET-UNK-b78139fa-16
0.443
EDG-MED-b8f93667-7
0.441
EDJ-MED-3bfd841e-1
0.440
PET-UNK-6da3dcd8-13
0.440
PET-UNK-b78139fa-15
0.439
MIC-UNK-e8d6fb58-1
0.439
EDJ-MED-dac03e7f-8
0.438
PET-UNK-c671f938-1
0.438
PET-UNK-c671f938-5
0.438