Molecular Properties | |
SMILES: | CNC(=O)C1(N2CC3(CCN(c4cncc5c4CCCC5)C3=O)c3cc(Cl)ccc3C2=O)CC1 |
MW: | 478.18 |
Fraction sp3: | 0.46 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 82.61 |
cLogP: | 3.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-d4864bdc-1
0.645
LUO-POS-e1dab717-4
0.639
LUO-POS-e1dab717-2
0.633
EDJ-MED-976a33d5-1
0.633
MAT-POS-576f7758-2
0.633
MAT-POS-e48723dc-1
0.633
MAT-POS-e48723dc-2
0.633
EDJ-MED-b6c6ee2b-7
0.616
ALP-POS-c3a90b22-1
0.607
EDJ-MED-98c0a822-3
0.607
EDJ-MED-705e09b8-1
0.600
LUO-POS-e1dab717-6
0.600
MIK-UNK-122557fa-1
0.600
EDJ-MED-5cd3920d-4
0.600
MIK-UNK-1619f2e2-1
0.600
EDJ-MED-5cd3920d-3
0.600
EDJ-MED-976a33d5-2
0.595
LUO-POS-e1dab717-10
0.595
EDJ-MED-33064c06-7
0.595
EDJ-MED-7d88f880-2
0.590
PET-UNK-14142a25-3
0.574
PET-UNK-14142a25-12
0.574
LUO-POS-e1dab717-14
0.574
EDJ-MED-4138fde9-5
0.566
ALP-POS-c3a90b22-9
0.563
EDJ-MED-33064c06-11
0.563
EDJ-MED-dfa1d800-1
0.551
LUO-POS-e1dab717-8
0.548
ALP-POS-c3a90b22-3
0.542
EDJ-MED-98c0a822-4
0.542
EDJ-MED-33064c06-13
0.542
EDJ-MED-dfa1d800-5
0.539
EDJ-MED-dfa1d800-4
0.527
EDJ-MED-dfa1d800-2
0.523
PET-UNK-4c71d490-4
0.521
PET-UNK-4c71d490-8
0.521
EDJ-MED-4138fde9-6
0.519
EDJ-MED-59d5ca70-1
0.516
EDJ-MED-dfa1d800-3
0.515
EDJ-MED-705e09b8-2
0.500
PET-UNK-4c71d490-6
0.488
PET-UNK-4c71d490-2
0.488
EDJ-MED-fed7ac0b-2
0.472
EDG-MED-b1ef7fe3-4
0.445
PET-UNK-14142a25-9
0.440
PET-UNK-14142a25-18
0.440
PET-UNK-14142a25-16
0.438
PET-UNK-14142a25-7
0.438
PET-UNK-14142a25-10
0.433
LUO-POS-8c3e556a-2
0.433
EDJ-MED-8bb691af-8
0.433
EDG-MED-b1ef7fe3-1
0.433
PET-UNK-14142a25-1
0.433
LUO-POS-9931618f-1
0.433
MIK-ENA-37e0b697-1
0.433
LUO-POS-9931618f-2
0.433
MIK-ENA-794411b8-1
0.433
LUO-POS-8c3e556a-1
0.433
MAT-POS-853c0ffa-1
0.427
MAT-POS-1d5ab790-3
0.427
EDJ-MED-7e491f08-2
0.424
MAT-POS-38eb6498-6
0.421
EDJ-MED-fd8ed875-4
0.419
EDJ-MED-dbcb2afb-1
0.419
PET-UNK-14142a25-5
0.419
PET-UNK-14142a25-14
0.419
ALP-POS-c3a90b22-5
0.416
EDG-MED-b1ef7fe3-2
0.416
EDJ-MED-b6c6ee2b-6
0.416
EDG-MED-b1ef7fe3-3
0.413
MAT-POS-ddfe83c6-1
0.409
JOH-MSK-4bb3d434-1
0.403
PET-UNK-c6bcc80b-6
0.402
PET-UNK-c6bcc80b-13
0.402
EDJ-MED-7d88f880-1
0.400
EDJ-MED-fd8ed875-2
0.398
PET-UNK-14142a25-2
0.397
PET-UNK-14142a25-11
0.397
EDJ-MED-33064c06-5
0.392
EDJ-MED-fd8ed875-6
0.389
EDJ-MED-33064c06-3
0.389
MAT-POS-69786b79-1
0.389
MAT-POS-576f7758-1
0.389
MAT-POS-566864e2-3
0.389
MAT-POS-566864e2-4
0.389
LUO-POS-e1dab717-3
0.389
LUO-POS-e1dab717-1
0.389
ALP-POS-ecbed2ba-7
0.389
EDJ-MED-3af0740c-1
0.385
EDJ-MED-33064c06-1
0.385
ALP-POS-c3a90b22-2
0.383
EDJ-MED-976a33d5-3
0.383
EDJ-MED-33064c06-12
0.382
EDJ-MED-33064c06-14
0.382
EDJ-MED-4cb9dd84-2
0.380
MIK-ENA-434a856c-1
0.380
MIK-ENA-93ef1e28-1
0.380
EDJ-MED-33064c06-2
0.380
EDJ-MED-33064c06-18
0.380
MAT-POS-38eb6498-4
0.380