Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)N(CCC12CCC(CC1)O2)c1cccc(Cl)c1 |
MW: | 421.16 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 54.46 |
cLogP: | 6.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-cdc2493e-1
0.652
VLA-UCB-05e51b3f-14
0.638
EDJ-MED-c314995a-1
0.638
MIC-UNK-cdc2493e-2
0.635
MIC-UNK-cdc2493e-15
0.635
MIC-UNK-cdc2493e-19
0.624
MIC-UNK-cdc2493e-23
0.624
MIC-UNK-bcd487e9-3
0.606
MIC-UNK-cdc2493e-3
0.606
MIC-UNK-cdc2493e-16
0.604
MIC-UNK-bcd487e9-4
0.598
MIC-UNK-bcd487e9-2
0.594
VLA-UCB-34f3ed0c-13
0.592
MIC-UNK-cdc2493e-24
0.588
MIC-UNK-bcd487e9-6
0.582
MIC-UNK-bcd487e9-1
0.574
MIC-UNK-bcd487e9-5
0.573
MIC-UNK-cdc2493e-22
0.570
MIC-UNK-bcd487e9-10
0.545
ADA-UCB-dc2b944c-18
0.534
MIC-UNK-bcd487e9-7
0.525
MIC-UNK-bcd487e9-8
0.525
MIC-UNK-bcd487e9-9
0.520
VLA-UCB-34f3ed0c-6
0.515
MIC-UNK-cdc2493e-17
0.505
VLA-UCB-34f3ed0c-7
0.495
MIC-UNK-cdc2493e-11
0.495
MIC-UNK-cdc2493e-18
0.490
MIC-UNK-cdc2493e-4
0.485
MIC-UNK-cdc2493e-12
0.485
MIC-UNK-cdc2493e-5
0.485
MIC-UNK-cdc2493e-6
0.485
MIC-UNK-cdc2493e-8
0.481
MIC-UNK-cdc2493e-20
0.481
FRA-DIA-13af2da5-1
0.480
MIC-UNK-d36ab305-5
0.480
PET-UNK-a17c93d1-1
0.477
MIC-UNK-cdc2493e-9
0.472
MIC-UNK-cdc2493e-21
0.472
MIC-UNK-d36ab305-2
0.471
NAU-LAT-2fed8305-2
0.469
MIC-UNK-cdc2493e-10
0.467
MIC-UNK-cdc2493e-7
0.463
VLA-UCB-34f3ed0c-5
0.463
ALF-EVA-650655fc-1
0.455
MIC-UNK-cdc2493e-13
0.455
ADA-UCB-dc2b944c-3
0.450
ADA-UCB-dc2b944c-17
0.450
ALP-POS-f13221e1-3
0.448
MIC-UNK-cdc2493e-14
0.446
NAU-LAT-2fed8305-7
0.444
ALF-EVA-650655fc-6
0.442
ALF-EVA-650655fc-2
0.440
RYA-UNI-14580791-1
0.435
ADA-UCB-dc2b944c-2
0.434
ALF-EVA-650655fc-3
0.432
ADA-UCB-6c2cb422-1
0.432
RAL-THA-eb6cb89c-2
0.426
MAT-POS-53907a1c-3
0.425
ALP-POS-f13221e1-2
0.424
ALF-EVA-650655fc-8
0.423
ALP-POS-ddb41b15-6
0.423
RAL-THA-c9f97604-1
0.422
ALF-EVA-650655fc-4
0.419
NAU-LAT-2fed8305-1
0.418
MIC-UNK-5a93dd5f-1
0.417
MIC-UNK-5a93dd5f-2
0.417
ALF-EVA-650655fc-7
0.416
PET-UNK-c5865d42-1
0.415
RAL-THA-05e671eb-3
0.415
MAT-POS-2905de8c-3
0.411
PET-UNK-bb7ffe78-1
0.410
PET-UNK-c0891748-10
0.407
PET-UNK-c0891748-4
0.407
MAT-POS-a3f7f96a-1
0.404
NAU-LAT-2fed8305-9
0.402
MAT-POS-f7918075-1
0.402
VLA-UCB-1dbca3b4-15
0.402
MAT-POS-78e1d523-1
0.402
MAT-POS-b3e365b9-1
0.402
MAT-POS-b3e365b9-2
0.402
MIC-UNK-5a93dd5f-9
0.402
ALP-POS-3b848b35-4
0.402
MIC-UNK-c66144cb-3
0.402
MIC-UNK-5a93dd5f-8
0.400
EDG-MED-971238d3-6
0.398
PET-UNK-bb7ffe78-3
0.398
PET-UNK-1320d94d-21
0.397
PET-UNK-1320d94d-22
0.397
NAU-LAT-2fed8305-3
0.396
MAT-POS-fce787c2-2
0.396
MAT-POS-e119ab4f-4
0.394
MIC-UNK-d36ab305-4
0.394
EDJ-MED-50011917-1
0.394
EDJ-MED-cf4b0d25-4
0.394
BEN-DND-d1eb1f41-6
0.394
NAU-LAT-2fed8305-5
0.394
ALP-POS-477dc5b7-3
0.393
MIC-UNK-6e9f8a43-2
0.393
VLA-UNK-9a7dc93f-7
0.392