Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)N(Cc1ncn[nH]1)c1cccc(Cl)c1 |
MW: | 378.1 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 86.8 |
cLogP: | 4.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-c314995a-1
MIC-UNK-bcd487e9-1
0.671
MIC-UNK-bcd487e9-10
0.652
MIC-UNK-bcd487e9-5
0.648
MIC-UNK-bcd487e9-7
0.644
MIC-UNK-bcd487e9-9
0.620
MIC-UNK-cdc2493e-3
0.576
MIC-UNK-cdc2493e-19
0.576
MIC-UNK-cdc2493e-23
0.576
MIC-UNK-bcd487e9-3
0.576
MIC-UNK-cdc2493e-16
0.574
MIC-UNK-cdc2493e-24
0.574
MIC-UNK-cdc2493e-22
0.573
MIC-UNK-cdc2493e-1
0.570
MIC-UNK-bcd487e9-6
0.568
MIC-UNK-bcd487e9-2
0.564
VLA-UCB-34f3ed0c-13
0.562
EDJ-MED-c314995a-1
0.558
VLA-UCB-05e51b3f-14
0.558
MIC-UNK-cdc2493e-15
0.557
MIC-UNK-bcd487e9-4
0.552
MIC-UNK-cdc2493e-2
0.541
ADA-UCB-dc2b944c-6
0.525
ADA-UCB-dc2b944c-18
0.520
VLA-UCB-34f3ed0c-6
0.515
VLA-UCB-34f3ed0c-7
0.510
VLA-UCB-34f3ed0c-5
0.505
MIC-UNK-cdc2493e-6
0.500
MIC-UNK-d36ab305-2
0.500
MIC-UNK-cdc2493e-20
0.495
MIC-UNK-cdc2493e-11
0.495
FRA-DIA-13af2da5-1
0.495
MIC-UNK-d36ab305-5
0.495
MIC-UNK-cdc2493e-17
0.490
MIC-UNK-cdc2493e-21
0.485
MIC-UNK-cdc2493e-4
0.485
MIC-UNK-cdc2493e-5
0.485
MIC-UNK-cdc2493e-12
0.485
RAL-THA-1d44ff04-2
0.476
MIC-UNK-cdc2493e-18
0.475
MIC-UNK-cdc2493e-9
0.471
MIC-UNK-cdc2493e-8
0.467
MIC-UNK-cdc2493e-10
0.466
PET-UNK-a17c93d1-1
0.462
MIC-UNK-cdc2493e-7
0.462
ALP-POS-f13221e1-3
0.462
ADA-UCB-6c2cb422-1
0.461
MIC-UNK-cdc2493e-13
0.453
NAU-LAT-2fed8305-2
0.452
ALP-POS-f13221e1-2
0.452
RYA-UNI-14580791-1
0.448
MIC-UNK-cdc2493e-14
0.444
NAU-LAT-2fed8305-7
0.442
EDJ-MED-487c5e9f-1
0.438
ALP-POS-ddb41b15-6
0.435
ADA-UCB-dc2b944c-3
0.434
RAL-THA-8416115c-13
0.434
EDJ-MED-fa7708b3-2
0.434
NAU-LAT-2fed8305-1
0.430
MAT-POS-fce787c2-2
0.422
ADA-UCB-dc2b944c-17
0.421
BEN-DND-d1eb1f41-6
0.418
MIC-UNK-d36ab305-4
0.417
VLA-UNK-9a7dc93f-7
0.417
RAL-THA-2d450e86-27
0.415
RAL-THA-2d450e86-20
0.415
RAL-THA-2d450e86-25
0.415
PET-UNK-dd44aeb6-1
0.415
MAT-POS-afd4d4fd-1
0.415
RAL-THA-2d450e86-24
0.415
PET-UNK-dd44aeb6-2
0.415
ALF-EVA-650655fc-1
0.414
RAL-THA-2d450e86-33
0.413
PET-UNK-3c72d439-1
0.411
JOH-UNI-3fc3434e-6
0.410
JOH-UNI-ee5ed7c8-6
0.410
VLA-UNK-b9c208fe-2
0.409
MAT-POS-afd4d4fd-3
0.409
MIC-UNK-d36ab305-1
0.408
RAL-THA-2d450e86-30
0.407
MAK-UNK-c749d764-6
0.406
MAK-UNK-ffc90da7-1
0.406
ADA-UCB-dc2b944c-2
0.405
EDJ-MED-cf4b0d25-4
0.404
RAL-THA-2d450e86-21
0.402
MAK-UNK-ffc90da7-7
0.400
RAL-THA-2d450e86-19
0.400
MAK-UNK-919546f0-5
0.400
EDG-MED-0da5ad92-20
0.400
ALF-EVA-650655fc-2
0.400
MIC-UNK-5a93dd5f-6
0.398
VLA-UNK-f49ebb87-1
0.398
MIC-UNK-df9dcda8-3
0.398
NAU-LAT-2fed8305-9
0.398
MAT-POS-23a8a11a-1
0.398
MIC-UNK-5a93dd5f-8
0.396
MIC-UNK-c66144cb-2
0.396
RAL-THA-2d450e86-14
0.396
RAL-THA-2d450e86-15
0.396
RAL-THA-2d450e86-36
0.396
RAL-THA-2d450e86-2
0.396