Molecular Properties | |
SMILES: | CNC(=O)C1(N2C[C@]3(CCCN(c4cncc5ccccc45)C3=O)c3cc(Cl)ccc3C2=O)CC1 |
MW: | 488.16 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 82.61 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
LUO-POS-e1dab717-14
1.000
PET-UNK-14142a25-12
1.000
LUO-POS-e1dab717-2
0.866
EDJ-MED-976a33d5-1
0.866
MAT-POS-576f7758-2
0.866
MAT-POS-e48723dc-1
0.866
MAT-POS-e48723dc-2
0.866
EDJ-MED-98c0a822-3
0.830
ALP-POS-c3a90b22-1
0.830
EDJ-MED-33064c06-11
0.766
ALP-POS-c3a90b22-9
0.766
ALP-POS-c3a90b22-3
0.745
EDJ-MED-33064c06-13
0.745
EDJ-MED-98c0a822-4
0.745
PET-UNK-14142a25-11
0.721
PET-UNK-14142a25-2
0.721
EDJ-MED-59d5ca70-1
0.694
PET-UNK-4c71d490-4
0.688
PET-UNK-4c71d490-8
0.688
LUO-POS-e1dab717-4
0.682
PET-UNK-14142a25-9
0.679
PET-UNK-14142a25-18
0.679
EDJ-MED-fed7ac0b-2
0.673
EDJ-MED-7d88f880-2
0.673
EDJ-MED-b6c6ee2b-7
0.658
PET-UNK-14142a25-5
0.646
PET-UNK-14142a25-14
0.646
PET-UNK-4c71d490-6
0.646
PET-UNK-4c71d490-2
0.646
LUO-POS-e1dab717-13
0.645
PET-UNK-14142a25-7
0.640
PET-UNK-14142a25-16
0.640
EDJ-MED-5cd3920d-3
0.640
EDJ-MED-5cd3920d-4
0.640
LUO-POS-e1dab717-6
0.640
PET-UNK-aa57768f-6
0.639
PET-UNK-aa57768f-11
0.639
PET-UNK-aa57768f-12
0.639
PET-UNK-aa57768f-5
0.639
EDJ-MED-33064c06-7
0.635
EDJ-MED-976a33d5-2
0.635
LUO-POS-e1dab717-10
0.635
EDJ-MED-7e491f08-2
0.631
PET-UNK-14142a25-10
0.620
EDJ-MED-8bb691af-8
0.620
PET-UNK-14142a25-1
0.620
MIK-ENA-37e0b697-1
0.620
LUO-POS-9931618f-1
0.620
MIK-ENA-794411b8-1
0.620
LUO-POS-9931618f-2
0.620
PET-UNK-aa57768f-4
0.614
PET-UNK-aa57768f-10
0.614
LUO-POS-e1dab717-8
0.610
ALP-POS-133e7cd9-1
0.609
EDJ-MED-4138fde9-5
0.603
ALP-POS-c3a90b22-5
0.593
EDJ-MED-dfa1d800-1
0.587
EDJ-MED-fd8ed875-4
0.584
JOH-MSK-4bb3d434-1
0.580
EDJ-MED-dbcb2afb-1
0.576
EDJ-MED-dfa1d800-5
0.575
EDJ-MED-d4864bdc-2
0.574
EDJ-MED-fd8ed875-2
0.569
EDJ-MED-fd8ed875-6
0.568
EDJ-MED-dfa1d800-4
0.562
EDJ-MED-33064c06-5
0.559
EDJ-MED-7587a9ee-2
0.559
EDJ-MED-dfa1d800-2
0.557
EDJ-MED-33064c06-3
0.555
EDJ-MED-4138fde9-6
0.553
EDJ-MED-976a33d5-3
0.552
EDJ-MED-33064c06-1
0.551
EDJ-MED-dfa1d800-3
0.549
LUO-POS-e1dab717-1
0.548
MAT-POS-69786b79-1
0.548
MAT-POS-576f7758-1
0.548
MAT-POS-566864e2-4
0.548
MAT-POS-566864e2-3
0.548
ALP-POS-ecbed2ba-7
0.548
EDJ-MED-33064c06-2
0.547
EDJ-MED-33064c06-18
0.547
EDJ-MED-33064c06-12
0.546
EDJ-MED-33064c06-14
0.546
PET-UNK-aa57768f-2
0.545
PET-UNK-aa57768f-3
0.545
PET-UNK-aa57768f-9
0.545
PET-UNK-aa57768f-8
0.545
PET-UNK-37c7074c-2
0.543
PET-UNK-37c7074c-4
0.543
EDJ-MED-33064c06-8
0.542
EDJ-MED-4cb9dd84-1
0.542
EDJ-MED-33064c06-10
0.542
ALP-POS-c3a90b22-11
0.542
ALP-POS-c3a90b22-2
0.538
EDJ-MED-33064c06-15
0.538
EDJ-MED-98c0a822-1
0.538
EDJ-MED-3af0740c-1
0.538
PET-UNK-6af7266d-1
0.530
PET-UNK-6af7266d-3
0.530
EDJ-MED-40e596c8-5
0.529