Molecular Properties | |
SMILES: | O=C(CN1CC(C(=O)Nc2cncc3ccc(Cl)cc23)c2ccccc2C1=O)NC1COC1 |
MW: | 464.13 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 100.63 |
cLogP: | 2.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
EDG-MED-9fc99cca-1
0.806
EDJ-MED-43f8f7d6-6
0.654
EDJ-MED-c4e42105-1
0.626
EDJ-MED-e69ed63d-6
0.593
EDJ-MED-75baa495-1
0.579
EDJ-MED-d165ed91-3
0.573
EDJ-MED-e69ed63d-5
0.573
EDJ-MED-43f8f7d6-4
0.554
RAL-THA-a9c31980-2
0.544
MAT-POS-e119ab4f-2
0.509
MAT-POS-c7726e07-3
0.509
MAT-POS-c7726e07-4
0.509
EDJ-MED-e69ed63d-3
0.508
MAT-POS-97ec4bd1-4
0.504
PET-UNK-f860268d-2
0.500
EDJ-MED-e69ed63d-9
0.500
PET-UNK-f860268d-5
0.500
EDJ-MED-ce467fd5-1
0.496
EDJ-MED-827e7cb4-3
0.496
MAT-POS-a54ce14d-2
0.496
EDJ-MED-015fb6b4-2
0.496
MAT-POS-acfe5bae-2
0.496
MAT-POS-a54ce14d-3
0.496
EDJ-MED-e69ed63d-4
0.492
EDJ-MED-c82a5324-2
0.492
EDG-MED-e300b289-3
0.492
MAT-POS-2e8b2191-11
0.488
EDJ-MED-e69ed63d-10
0.484
RAL-THA-a9c31980-5
0.483
LUO-POS-74179f4f-1
0.482
LUO-POS-edefcc0e-1
0.482
EDJ-MED-0186a59b-6
0.482
LUO-POS-868e8996-4
0.479
RAL-THA-a9c31980-1
0.479
EDJ-MED-c99b2211-2
0.479
RAL-THA-a9c31980-4
0.479
LUO-POS-868e8996-3
0.479
EDJ-MED-c4e42105-2
0.476
EDJ-MED-43f8f7d6-3
0.475
RAL-THA-a9c31980-3
0.475
JOH-UNI-6b98e24c-1
0.475
RAL-THA-5e0a6f1a-1
0.474
RAL-THA-a9c31980-6
0.471
MAT-POS-37ffad05-1
0.468
BEN-DND-f6031113-12
0.467
EDJ-MED-c99b2211-1
0.467
EDG-MED-e300b289-1
0.466
RAL-THA-a9c31980-8
0.463
PET-UNK-c7ac4d9e-1
0.462
PET-UNK-c7ac4d9e-2
0.462
RAL-THA-a9c31980-9
0.459
BEN-DND-f6031113-11
0.459
EDG-MED-e300b289-2
0.458
MAT-POS-e119ab4f-1
0.450
EDJ-MED-0186a59b-5
0.450
MAT-POS-c7726e07-2
0.450
MAT-POS-c7726e07-1
0.450
MAT-POS-b4d6b7fc-2
0.448
BEN-DND-f6031113-18
0.447
BEN-DND-f6031113-1
0.445
EDJ-MED-b2a1399d-4
0.444
BEN-DND-f6031113-9
0.444
PET-UNK-4d432d33-6
0.443
PET-UNK-4d432d33-2
0.443
EDJ-MED-e69ed63d-13
0.440
EDJ-MED-e69ed63d-15
0.440
EDJ-MED-e69ed63d-7
0.439
EDJ-MED-ce467fd5-2
0.439
EDJ-MED-0186a59b-7
0.439
MAT-POS-2e8b2191-12
0.439
EDJ-MED-e69ed63d-11
0.439
BEN-DND-f6031113-17
0.439
BEN-DND-f6031113-2
0.438
JOH-UNI-d2a12aa9-4
0.438
EDJ-MED-015fb6b4-3
0.437
EDJ-MED-e69ed63d-1
0.435
BEN-DND-f6031113-10
0.435
JOH-UNI-d2a12aa9-2
0.433
PET-UNK-c6bcc80b-3
0.433
PET-UNK-c6bcc80b-10
0.433
ALF-EVA-5b152d2f-3
0.432
EDJ-MED-d165ed91-4
0.432
EDJ-MED-e69ed63d-12
0.432
EDJ-MED-c99b2211-4
0.432
EDJ-MED-eb111c00-3
0.431
EDJ-MED-75baa495-3
0.430
EDJ-MED-e69ed63d-14
0.430
EDJ-MED-e69ed63d-16
0.430
BEN-DND-f6031113-23
0.429
EDJ-MED-e69ed63d-8
0.429
EDJ-MED-e69ed63d-17
0.429
PET-UNK-4d432d33-1
0.427
PET-UNK-4d432d33-5
0.427
PET-UNK-c671f938-2
0.426
PET-UNK-c671f938-6
0.426
EDJ-MED-e69ed63d-2
0.425
DAR-DIA-9f765dc6-9
0.425
DAR-DIA-9f765dc6-7
0.425
DAR-DIA-9f765dc6-8
0.425
MIC-UNK-482af05e-4
0.424