Molecular Properties | |
SMILES: | CNC(=O)[C@H](C(C)C)N1C[C@@H](C(=O)Nc2cncc3cccc(Cl)c23)c2ccccc2C1=O |
MW: | 464.16 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 91.4 |
cLogP: | 3.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-f6031113-8
0.879
BEN-DND-f6031113-15
0.745
BEN-DND-f6031113-3
0.702
BEN-DND-f6031113-21
0.650
BEN-DND-f6031113-20
0.607
BEN-DND-f6031113-17
0.602
BEN-DND-f6031113-18
0.596
BEN-DND-f6031113-19
0.596
BEN-DND-fa51d92c-16
0.594
BEN-DND-fa51d92c-8
0.574
BEN-DND-f6031113-22
0.566
BEN-DND-fa51d92c-15
0.532
BEN-DND-f6031113-7
0.531
BEN-DND-f6031113-10
0.526
BEN-DND-f6031113-6
0.522
BEN-DND-f6031113-9
0.522
MIK-ENA-5d9157e9-4
0.509
JOH-UNI-6b98e24c-2
0.509
EDJ-MED-0186a59b-8
0.509
MIK-ENA-5d9157e9-3
0.509
BEN-DND-fa51d92c-2
0.509
EDJ-MED-0186a59b-4
0.482
BEN-DND-f6031113-23
0.469
EDJ-MED-ede277f6-5
0.450
BEN-DND-f6031113-14
0.449
BEN-DND-f6031113-11
0.438
BEN-DND-f6031113-12
0.434
BEN-DND-f6031113-13
0.434
BEN-DND-f6031113-4
0.431
EDJ-MED-ede277f6-9
0.430
BEN-DND-f6031113-5
0.421
BEN-DND-f6031113-2
0.417
MAT-POS-81ae2990-1
0.415
BEN-DND-f6031113-1
0.414
BEN-DND-f6031113-24
0.414
EDJ-MED-ede277f6-3
0.413
EDJ-MED-94fddcec-3
0.411
MAT-POS-81ae2990-4
0.408
EDJ-MED-f9b78f78-3
0.407
BEN-DND-a7517465-3
0.402
MAT-POS-81ae2990-7
0.400
MAT-POS-b4d6b7fc-8
0.400
EDJ-MED-ede277f6-11
0.394
MAT-POS-e119ab4f-3
0.393
MIC-UNK-51049f1a-2
0.385
EDJ-MED-75baa495-3
0.385
MIC-UNK-51049f1a-1
0.384
EDG-MED-9fc99cca-4
0.384
MAT-POS-853c0ffa-3
0.368
MAT-POS-a334828f-1
0.368
EDG-MED-9fc99cca-3
0.366
MIC-UNK-51049f1a-4
0.363
MIC-UNK-51049f1a-3
0.359
BEN-DND-fa51d92c-21
0.355
EDJ-MED-75baa495-2
0.354
EDJ-MED-9537a89a-3
0.354
MIC-UNK-50cce87d-2
0.352
EDJ-MED-6ab52e52-1
0.352
EDG-MED-9fc99cca-2
0.349
EDJ-MED-c3ea9889-8
0.347
EDJ-MED-75baa495-1
0.344
EDJ-MED-d1555997-2
0.342
BEN-DND-fa51d92c-22
0.341
LUO-POS-8701f4c8-1
0.341
EDJ-MED-43f8f7d6-2
0.341
EDJ-MED-12c4873b-2
0.341
DAR-DIA-d8bd013f-7
0.339
DAR-DIA-d8bd013f-8
0.339
MAT-POS-13080fc6-2
0.338
ROB-CAM-4c532489-1
0.336
BEN-DND-fa51d92c-20
0.336
BEN-DND-fa51d92c-17
0.336
JOH-UNI-d2a12aa9-1
0.336
BEN-DND-fa51d92c-18
0.333
JOH-UNI-d2a12aa9-3
0.331
EDG-MED-9fc99cca-1
0.331
BEN-DND-fa51d92c-19
0.331
MAT-POS-666635d5-1
0.331
EDJ-MED-c3ea9889-4
0.331
MAT-POS-13080fc6-4
0.326
EDJ-MED-9537a89a-2
0.326
DAR-DIA-d8bd013f-5
0.326
DAR-DIA-d8bd013f-6
0.326
EDJ-MED-41558c53-3
0.325
EDJ-MED-d1555997-1
0.325
EDJ-MED-c7fc9efa-2
0.325
BEN-DND-fa51d92c-7
0.323
BEN-DND-fa51d92c-10
0.323
MAT-POS-c88128cb-15
0.322
BEN-DND-fa51d92c-9
0.321
MAT-POS-acfe5bae-2
0.320
EDJ-MED-015fb6b4-2
0.320
MAT-POS-a54ce14d-2
0.320
MAT-POS-a54ce14d-3
0.320
MIC-UNK-482af05e-3
0.320
EDJ-MED-54fbebd8-2
0.320
MIC-UNK-91acba05-2
0.319
EDJ-MED-eb111c00-1
0.319
BEN-DND-fa51d92c-6
0.318
MAT-POS-13080fc6-5
0.318