Molecular Properties | |
SMILES: | O=C(CN1CC(C(=O)Nc2cncc3cc(F)cc(Cl)c23)c2cc(Cl)ccc2C1=O)NC1COC1 |
MW: | 516.08 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 100.63 |
cLogP: | 3.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
EDJ-MED-75baa495-3
0.786
EDJ-MED-75baa495-2
0.762
EDJ-MED-e69ed63d-6
0.701
EDJ-MED-43f8f7d6-6
0.689
EDJ-MED-c4e42105-1
0.643
EDJ-MED-d165ed91-3
0.632
EDJ-MED-e69ed63d-5
0.632
EDJ-MED-9537a89a-1
0.623
EDJ-MED-0186a59b-8
0.620
MIK-ENA-5d9157e9-4
0.620
MIK-ENA-5d9157e9-3
0.620
EDJ-MED-e69ed63d-3
0.607
EDJ-MED-e69ed63d-9
0.596
EDJ-MED-43f8f7d6-4
0.586
EDG-MED-9fc99cca-2
0.579
MIC-UNK-51049f1a-2
0.577
RAL-THA-a9c31980-2
0.575
MAT-POS-e119ab4f-3
0.571
MIC-UNK-51049f1a-1
0.570
EDG-MED-9fc99cca-1
0.570
MAT-POS-e119ab4f-2
0.568
MAT-POS-c7726e07-3
0.568
MAT-POS-c7726e07-4
0.568
JOH-UNI-d2a12aa9-1
0.555
MAT-POS-13080fc6-2
0.552
EDG-MED-e300b289-3
0.548
MAT-POS-13080fc6-4
0.547
EDJ-MED-e69ed63d-4
0.546
EDJ-MED-0186a59b-5
0.544
MAT-POS-e119ab4f-1
0.544
MAT-POS-c7726e07-1
0.544
MAT-POS-c7726e07-2
0.544
EDJ-MED-0186a59b-6
0.541
LUO-POS-74179f4f-1
0.541
LUO-POS-edefcc0e-1
0.541
EDJ-MED-e69ed63d-10
0.537
PET-UNK-f860268d-2
0.532
PET-UNK-f860268d-5
0.532
EDJ-MED-e69ed63d-7
0.530
EDJ-MED-e69ed63d-11
0.530
EDJ-MED-e69ed63d-17
0.529
MAT-POS-acfe5bae-2
0.527
MAT-POS-a54ce14d-2
0.527
EDJ-MED-015fb6b4-2
0.527
MAT-POS-a54ce14d-3
0.527
EDG-MED-e300b289-2
0.526
EDJ-MED-e69ed63d-1
0.525
EDG-MED-e300b289-1
0.522
MAT-POS-97ec4bd1-4
0.521
JOH-UNI-d2a12aa9-3
0.520
RAL-THA-a9c31980-8
0.517
EDJ-MED-e69ed63d-15
0.517
EDJ-MED-e69ed63d-13
0.517
EDJ-MED-ce467fd5-1
0.513
EDJ-MED-827e7cb4-3
0.513
LUO-POS-868e8996-4
0.509
RAL-THA-a9c31980-1
0.509
EDJ-MED-c99b2211-2
0.509
RAL-THA-a9c31980-4
0.509
LUO-POS-868e8996-3
0.509
PET-UNK-c6bcc80b-3
0.508
PET-UNK-c6bcc80b-10
0.508
JOH-UNI-6b98e24c-1
0.504
EDJ-MED-43f8f7d6-3
0.504
RAL-THA-a9c31980-3
0.504
MAT-POS-2e8b2191-11
0.504
RAL-THA-a9c31980-5
0.500
MAT-POS-b4d6b7fc-2
0.500
RAL-THA-a9c31980-6
0.500
JOH-UNI-d2a12aa9-2
0.496
MAT-POS-37ffad05-1
0.496
EDJ-MED-c99b2211-1
0.496
EDJ-MED-9537a89a-3
0.496
EDJ-MED-343bb62d-1
0.496
EDJ-MED-c4e42105-2
0.492
EDJ-MED-0186a59b-7
0.492
MAT-POS-2e8b2191-12
0.492
ALP-POS-4483ae88-3
0.492
PET-UNK-c7ac4d9e-2
0.491
RAL-THA-5e0a6f1a-1
0.491
PET-UNK-c7ac4d9e-1
0.491
RAL-THA-a9c31980-9
0.488
EDJ-MED-e69ed63d-18
0.484
MAT-POS-b4d6b7fc-4
0.484
EDJ-MED-9537a89a-2
0.484
EDJ-MED-d165ed91-4
0.484
EDJ-MED-c99b2211-4
0.484
EDJ-MED-e69ed63d-12
0.484
PET-UNK-c671f938-5
0.483
PET-UNK-c671f938-1
0.483
EDJ-MED-94fddcec-2
0.482
EDJ-MED-e69ed63d-8
0.480
MIC-UNK-482af05e-4
0.478
EDJ-MED-e69ed63d-2
0.476
MAT-POS-81ae2990-5
0.476
EDJ-MED-41558c53-9
0.473
MAT-POS-81ae2990-2
0.472
EDJ-MED-41558c53-11
0.470
PET-UNK-4d432d33-1
0.470
PET-UNK-4d432d33-5
0.470