Molecular Properties | |
SMILES: | CNC(=O)C1(N2CC3(CNN(c4cncc5ccccc45)C3=O)c3cc(Cl)ccc3C2=O)CC1 |
MW: | 475.14 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 94.64 |
cLogP: | 2.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter20_hydrazine
PET-UNK-4c71d490-2
0.706
PET-UNK-4c71d490-6
0.706
MAT-POS-e48723dc-2
0.692
MAT-POS-e48723dc-1
0.692
LUO-POS-e1dab717-2
0.692
EDJ-MED-976a33d5-1
0.692
MAT-POS-576f7758-2
0.692
EDJ-MED-fed7ac0b-1
0.692
PET-UNK-14142a25-3
0.673
PET-UNK-14142a25-12
0.673
LUO-POS-e1dab717-14
0.673
PET-UNK-4c71d490-4
0.658
PET-UNK-4c71d490-8
0.658
ALP-POS-c3a90b22-1
0.649
EDJ-MED-98c0a822-3
0.649
ALP-POS-c3a90b22-9
0.629
EDJ-MED-33064c06-11
0.629
ALP-POS-c3a90b22-3
0.609
EDJ-MED-33064c06-13
0.609
EDJ-MED-98c0a822-4
0.609
PET-UNK-14142a25-5
0.590
PET-UNK-14142a25-14
0.590
EDJ-MED-fed7ac0b-3
0.585
EDJ-MED-fd8ed875-4
0.584
PET-UNK-14142a25-9
0.578
PET-UNK-14142a25-18
0.578
EDJ-MED-7e491f08-2
0.574
PET-UNK-14142a25-16
0.571
PET-UNK-14142a25-7
0.571
EDJ-MED-fd8ed875-2
0.569
EDJ-MED-fd8ed875-6
0.555
EDJ-MED-59d5ca70-1
0.554
LUO-POS-e1dab717-4
0.552
EDJ-MED-dbcb2afb-1
0.550
BEN-BAS-c2bc0d80-3
0.536
EDJ-MED-b6c6ee2b-7
0.533
EDJ-MED-7d88f880-2
0.524
EDJ-MED-5cd3920d-3
0.520
LUO-POS-e1dab717-6
0.520
EDJ-MED-5cd3920d-4
0.520
EDJ-MED-976a33d5-2
0.516
LUO-POS-e1dab717-10
0.516
EDJ-MED-33064c06-7
0.516
EDJ-MED-8bb691af-8
0.509
PET-UNK-14142a25-10
0.509
LUO-POS-9931618f-1
0.509
PET-UNK-14142a25-1
0.509
MIK-ENA-37e0b697-1
0.509
MIK-ENA-794411b8-1
0.509
LUO-POS-9931618f-2
0.509
EDJ-MED-4138fde9-5
0.492
PET-UNK-14142a25-2
0.492
PET-UNK-14142a25-11
0.492
LUO-POS-e1dab717-8
0.489
PET-UNK-4c71d490-1
0.488
PET-UNK-4c71d490-5
0.488
ALP-POS-c3a90b22-5
0.488
MAT-POS-566864e2-3
0.483
MAT-POS-566864e2-4
0.483
ALP-POS-ecbed2ba-7
0.483
MAT-POS-576f7758-1
0.483
MAT-POS-69786b79-1
0.483
LUO-POS-e1dab717-1
0.483
EDJ-MED-976a33d5-3
0.475
JOH-MSK-4bb3d434-1
0.475
EDJ-MED-d4864bdc-2
0.472
EDJ-MED-dfa1d800-1
0.471
EDJ-MED-dfa1d800-5
0.471
EDJ-MED-cc48ee33-2
0.468
PET-UNK-4c71d490-3
0.468
PET-UNK-4c71d490-7
0.468
EDJ-MED-dfa1d800-2
0.468
ALP-POS-c3a90b22-12
0.465
EDJ-MED-33064c06-9
0.465
ALP-POS-c3a90b22-4
0.464
ALP-POS-c3a90b22-2
0.463
EDJ-MED-dfa1d800-3
0.461
EDJ-MED-dfa1d800-4
0.460
EDJ-MED-33064c06-5
0.460
LUO-POS-e1dab717-13
0.460
EDJ-MED-33064c06-2
0.460
EDJ-MED-98c0a822-2
0.457
EDJ-MED-33064c06-3
0.457
LUO-POS-5857a86a-3
0.456
LUO-POS-868e8996-7
0.455
MAT-POS-1bed62cf-2
0.455
PET-UNK-37c7074c-2
0.455
PET-UNK-37c7074c-4
0.455
LUO-POS-868e8996-8
0.455
EDJ-MED-4138fde9-6
0.454
PET-UNK-aa57768f-3
0.454
PET-UNK-aa57768f-9
0.454
ALP-POS-c3a90b22-10
0.453
EDJ-MED-33064c06-1
0.452
EDJ-MED-98c0a822-1
0.452
EDJ-MED-33064c06-12
0.449
EDJ-MED-33064c06-18
0.448
EDJ-MED-fd8ed875-1
0.448
EDJ-MED-33064c06-10
0.445
EDJ-MED-4cb9dd84-1
0.444