Molecular Properties | |
SMILES: | Cn1cc(CN(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)nn1 |
MW: | 392.12 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 75.94 |
cLogP: | 4.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-c314995a-1
MIC-UNK-bcd487e9-10
0.701
MIC-UNK-bcd487e9-7
0.693
MIC-UNK-bcd487e9-1
0.663
MIC-UNK-bcd487e9-5
0.640
MIC-UNK-bcd487e9-8
0.620
MIC-UNK-cdc2493e-23
0.604
MIC-UNK-cdc2493e-24
0.602
MIC-UNK-cdc2493e-22
0.600
MIC-UNK-cdc2493e-19
0.587
VLA-UCB-34f3ed0c-13
0.573
MIC-UNK-bcd487e9-3
0.570
MIC-UNK-cdc2493e-3
0.570
MIC-UNK-cdc2493e-1
0.564
MIC-UNK-bcd487e9-6
0.562
MIC-UNK-bcd487e9-2
0.558
EDJ-MED-c314995a-1
0.552
MIC-UNK-cdc2493e-16
0.552
VLA-UCB-05e51b3f-14
0.552
MIC-UNK-bcd487e9-4
0.546
MIC-UNK-cdc2493e-2
0.535
MIC-UNK-cdc2493e-15
0.535
VLA-UCB-34f3ed0c-7
0.520
ADA-UCB-dc2b944c-6
0.520
MIC-UNK-cdc2493e-17
0.515
FRA-DIA-13af2da5-1
0.505
MIC-UNK-d36ab305-5
0.505
MIC-UNK-cdc2493e-18
0.500
VLA-UCB-34f3ed0c-5
0.500
ADA-UCB-dc2b944c-18
0.500
MIC-UNK-cdc2493e-21
0.495
VLA-UCB-34f3ed0c-6
0.495
MIC-UNK-cdc2493e-12
0.495
MIC-UNK-d36ab305-2
0.495
MIC-UNK-cdc2493e-10
0.490
MIC-UNK-cdc2493e-20
0.490
MIC-UNK-cdc2493e-11
0.490
MIC-UNK-cdc2493e-9
0.480
MIC-UNK-cdc2493e-4
0.480
MIC-UNK-cdc2493e-5
0.480
MIC-UNK-cdc2493e-6
0.480
MIC-UNK-cdc2493e-8
0.476
ALP-POS-f13221e1-3
0.473
RYA-UNI-14580791-1
0.460
EDJ-MED-cf4b0d25-4
0.458
PET-UNK-a17c93d1-1
0.457
ADA-UCB-6c2cb422-1
0.456
MIC-UNK-cdc2493e-14
0.454
MIC-UNK-cdc2493e-13
0.449
NAU-LAT-2fed8305-2
0.447
MIC-UNK-cdc2493e-7
0.443
VLA-UNK-9a7dc93f-7
0.442
NAU-LAT-2fed8305-1
0.441
NAU-LAT-2fed8305-7
0.438
MIC-UNK-5a93dd5f-6
0.434
MIC-UNK-5a93dd5f-8
0.433
EDJ-MED-ee07cf00-12
0.432
ALP-POS-f13221e1-2
0.432
ALP-POS-ddb41b15-6
0.430
EDJ-MED-cf4b0d25-5
0.427
MIC-UNK-d36ab305-4
0.427
NAU-LAT-a5c7d7cb-2
0.426
MIC-UNK-6ab519a7-1
0.426
NIR-THE-590dedc7-1
0.426
MIC-UNK-5a93dd5f-10
0.426
MAT-POS-afd4d4fd-1
0.426
RAL-THA-2d450e86-20
0.426
KAD-UNI-8a629cb0-47
0.423
MIC-UNK-5a93dd5f-5
0.422
EDJ-MED-ee07cf00-1
0.421
MIC-UNK-5a93dd5f-4
0.421
MIC-UNK-5a93dd5f-9
0.421
JOH-UNI-3fc3434e-6
0.420
JOH-UNI-ee5ed7c8-6
0.420
MIC-UNK-5a93dd5f-7
0.418
MAT-POS-fce787c2-2
0.418
ADA-UCB-dc2b944c-17
0.417
ADA-UCB-dc2b944c-3
0.417
MAK-UNK-ffc90da7-1
0.415
MAK-UNK-c749d764-6
0.415
ADA-UCB-dc2b944c-2
0.414
BEN-DND-d1eb1f41-6
0.414
EDJ-MED-ee07cf00-9
0.414
EDJ-MED-ee07cf00-6
0.412
ALF-EVA-650655fc-1
0.411
RAL-THA-2d450e86-27
0.411
EDG-MED-0da5ad92-20
0.410
MAK-UNK-ffc90da7-7
0.410
RAL-THA-2d450e86-33
0.409
RAL-THA-1d44ff04-4
0.408
RAL-THA-2d450e86-2
0.407
RAL-THA-2d450e86-15
0.406
PET-UNK-3c72d439-1
0.406
EDJ-MED-ee07cf00-15
0.405
MAT-POS-afd4d4fd-3
0.404
VLA-UNK-b9c208fe-2
0.404
PET-UNK-bb7ffe78-3
0.404
MAT-POS-bbbbc21a-1
0.404
RAL-THA-2d450e86-29
0.404
MAT-POS-3b92565d-1
0.404
MAT-POS-2905de8c-3
0.404