Molecular Properties | |
SMILES: | CN(C)CCOc1ccc2cncc(N3CCC4(CCS(=O)(=O)c5ccc(Cl)cc54)C3=O)c2c1 |
MW: | 499.13 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 79.81 |
cLogP: | 3.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
EDJ-MED-94fddcec-4
0.644
EDJ-MED-d4864bdc-3
0.644
ALP-POS-41e2080f-1
0.644
EDJ-MED-b6c6ee2b-1
0.595
MAT-POS-38eb6498-3
0.595
EDJ-MED-b6c6ee2b-5
0.592
MAT-POS-38eb6498-4
0.592
MIK-ENA-30ee93be-1
0.584
EDJ-MED-94fddcec-6
0.577
EDJ-MED-94fddcec-5
0.573
MAT-POS-853c0ffa-19
0.573
LUO-POS-e1dab717-7
0.573
EDJ-MED-94fddcec-7
0.571
EDJ-MED-ede5c6cb-1
0.571
MAT-POS-853c0ffa-10
0.563
LUO-POS-e1dab717-8
0.563
LUO-POS-8484f2d3-1
0.559
MAT-POS-853c0ffa-9
0.559
MAT-POS-38eb6498-1
0.559
MIK-ENA-8063e9dc-1
0.559
LUO-POS-8484f2d3-2
0.559
MIK-ENA-7066949b-1
0.559
EDJ-MED-ede5c6cb-2
0.525
MAT-POS-40ad851a-4
0.496
MAT-POS-40ad851a-2
0.489
MAT-POS-40ad851a-3
0.481
EDJ-MED-4138fde9-3
0.466
EDJ-MED-dfa1d800-3
0.464
EDJ-MED-4138fde9-5
0.462
EDJ-MED-468565e0-3
0.454
MAT-POS-1a788f51-4
0.453
EDJ-MED-dfa1d800-1
0.453
EDJ-MED-dfa1d800-5
0.453
MAT-POS-1a788f51-2
0.452
EDJ-MED-4138fde9-1
0.449
MAT-POS-1a788f51-1
0.448
MIK-ENA-26b331e0-1
0.444
EDJ-MED-dfa1d800-4
0.443
EDJ-MED-468565e0-1
0.442
EDJ-MED-468565e0-5
0.442
ALP-POS-4483ae88-1
0.441
EDJ-MED-f9b78f78-4
0.441
EDJ-MED-dfa1d800-2
0.440
EDJ-MED-ee81482e-3
0.440
MAT-POS-ddfe83c6-1
0.437
MAT-POS-40ad851a-5
0.436
MAT-POS-1a788f51-3
0.436
EDJ-MED-b6c6ee2b-2
0.433
EDJ-MED-468565e0-4
0.433
EDJ-MED-4138fde9-4
0.433
EDJ-MED-3af0740c-2
0.430
EDJ-MED-468565e0-2
0.427
EDJ-MED-4138fde9-6
0.427
ALP-POS-4483ae88-2
0.421
EDJ-MED-3af0740c-3
0.415
EDJ-MED-4138fde9-2
0.414
MAT-POS-40ad851a-1
0.411
LUO-POS-e1dab717-11
0.411
MIK-ENA-bb7b6957-1
0.410
EDJ-MED-b6c6ee2b-3
0.410
MIK-ENA-60569a44-1
0.410
EDJ-MED-976a33d5-3
0.409
MAT-POS-983b399a-1
0.407
ALP-POS-477dc5b7-4
0.407
EDJ-MED-159244ea-1
0.407
MAT-POS-8293a91a-8
0.407
LUO-POS-e1dab717-5
0.405
LUO-POS-8c3e556a-1
0.403
EDG-MED-b1ef7fe3-1
0.403
LUO-POS-8c3e556a-2
0.403
MIK-ENA-f73d8b60-1
0.400
EDJ-MED-98c0a822-1
0.400
EDJ-MED-ee81482e-2
0.400
EDJ-MED-5cd3920d-3
0.398
LUO-POS-e1dab717-6
0.398
LUO-POS-e1dab717-12
0.398
MAT-POS-ddfe83c6-6
0.397
EDJ-MED-98c0a822-2
0.394
DAR-DIA-6be260fc-5
0.392
LUO-POS-d1147590-1
0.392
EDJ-MED-5cd3920d-1
0.391
ERI-UCB-b3e6b0c2-19
0.388
EDJ-MED-b6c6ee2b-6
0.388
EDG-MED-b1ef7fe3-2
0.388
EDJ-MED-ee81482e-1
0.386
MAT-POS-b4d6b7fc-5
0.385
MIK-ENA-434a856c-1
0.385
MIK-ENA-93ef1e28-1
0.385
LUO-POS-b4dec3be-1
0.385
MIK-ENA-4bb8c98f-1
0.385
MIK-ENA-610c7cf9-1
0.385
LUO-POS-b4dec3be-2
0.385
EDJ-MED-4cb9dd84-2
0.385
EDJ-MED-4cb9dd84-3
0.382
ALP-POS-c3a90b22-6
0.380
JAG-UCB-f37eaa14-9
0.379
JAG-UCB-f37eaa14-3
0.378
MAT-POS-853c0ffa-14
0.378
MAT-POS-853c0ffa-21
0.376
MIK-ENA-1494235a-1
0.374