Molecular Properties | |
SMILES: | CNC(=O)C1(N2CC3(OCCN(c4cncc5ccccc45)C3=O)c3cc(Cl)ccc3C2=O)CC1 |
MW: | 490.14 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 91.84 |
cLogP: | 2.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-14142a25-14
1.000
PET-UNK-14142a25-4
0.697
PET-UNK-14142a25-13
0.697
MAT-POS-576f7758-2
0.664
EDJ-MED-976a33d5-1
0.664
LUO-POS-e1dab717-2
0.664
MAT-POS-e48723dc-1
0.664
MAT-POS-e48723dc-2
0.664
PET-UNK-14142a25-9
0.652
PET-UNK-14142a25-18
0.652
PET-UNK-14142a25-3
0.646
LUO-POS-e1dab717-14
0.646
PET-UNK-14142a25-12
0.646
EDJ-MED-33064c06-11
0.632
ALP-POS-c3a90b22-9
0.632
PET-UNK-14142a25-7
0.629
PET-UNK-14142a25-16
0.629
ALP-POS-c3a90b22-1
0.623
EDJ-MED-98c0a822-3
0.623
EDJ-MED-7e491f08-2
0.619
EDJ-MED-98c0a822-4
0.598
EDJ-MED-33064c06-13
0.598
ALP-POS-c3a90b22-3
0.598
EDJ-MED-fed7ac0b-2
0.590
EDJ-MED-fd8ed875-4
0.574
EDJ-MED-fd8ed875-2
0.573
EDJ-MED-fd8ed875-6
0.571
PET-UNK-4c71d490-2
0.554
PET-UNK-4c71d490-6
0.554
PET-UNK-4c71d490-4
0.550
PET-UNK-4c71d490-8
0.550
EDJ-MED-dbcb2afb-1
0.541
EDJ-MED-7587a9ee-4
0.539
EDJ-MED-59d5ca70-1
0.532
EDJ-MED-8bb691af-8
0.526
MIK-ENA-37e0b697-1
0.526
PET-UNK-14142a25-1
0.526
LUO-POS-9931618f-1
0.526
MIK-ENA-794411b8-1
0.526
LUO-POS-9931618f-2
0.526
PET-UNK-14142a25-10
0.526
LUO-POS-e1dab717-4
0.517
PET-UNK-14142a25-2
0.508
PET-UNK-14142a25-11
0.508
EDJ-MED-976a33d5-3
0.504
ALP-POS-c3a90b22-5
0.504
ALP-POS-ecbed2ba-7
0.500
MAT-POS-69786b79-1
0.500
MAT-POS-576f7758-1
0.500
LUO-POS-e1dab717-1
0.500
EDJ-MED-5cd3920d-3
0.500
EDJ-MED-b6c6ee2b-7
0.500
MAT-POS-566864e2-3
0.500
MAT-POS-566864e2-4
0.500
LUO-POS-e1dab717-6
0.500
PET-UNK-7e9559de-3
0.496
PET-UNK-7e9559de-6
0.496
EDJ-MED-7d88f880-2
0.492
ALP-POS-c3a90b22-10
0.492
VLA-UNK-61877630-6
0.492
VLA-UNK-8e615992-5
0.492
JOH-MSK-4bb3d434-1
0.492
EDJ-MED-5cd3920d-4
0.488
LUO-POS-e1dab717-13
0.488
VLA-UNK-8e615992-4
0.488
VLA-UNK-61877630-3
0.488
EDJ-MED-976a33d5-2
0.484
EDJ-MED-33064c06-7
0.484
LUO-POS-e1dab717-10
0.484
EDJ-MED-98c0a822-2
0.484
PET-UNK-14142a25-8
0.484
PET-UNK-14142a25-17
0.484
EDJ-MED-a12e3a20-2
0.484
LUO-POS-e1dab717-8
0.481
ALP-POS-c3a90b22-4
0.480
EDJ-MED-98c0a822-1
0.480
ALP-POS-c3a90b22-2
0.480
PET-UNK-14142a25-6
0.476
PET-UNK-14142a25-15
0.476
EDJ-MED-4138fde9-5
0.474
EDJ-MED-33064c06-3
0.472
PET-UNK-37c7074c-2
0.472
PET-UNK-37c7074c-4
0.472
EDJ-MED-33064c06-1
0.468
EDJ-MED-33064c06-5
0.465
EDJ-MED-33064c06-12
0.465
EDJ-MED-33064c06-2
0.464
EDJ-MED-33064c06-18
0.464
EDJ-MED-dfa1d800-2
0.461
EDJ-MED-cc48ee33-2
0.461
EDJ-MED-4cb9dd84-1
0.460
EDJ-MED-33064c06-8
0.460
EDJ-MED-40e596c8-5
0.460
PET-UNK-6af7266d-3
0.460
PET-UNK-6af7266d-1
0.460
PET-UNK-aa57768f-2
0.458
PET-UNK-aa57768f-8
0.458
PET-UNK-aa57768f-3
0.458
PET-UNK-aa57768f-9
0.458
ALP-POS-c3a90b22-12
0.457