Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)N(c1cccc(Cl)c1)C1CCC2CCCCC2C1 |
MW: | 433.19 |
Fraction sp3: | 0.38 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 45.23 |
cLogP: | 7.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-cdc2493e-5
0.821
MIC-UNK-cdc2493e-4
0.759
MIC-UNK-cdc2493e-12
0.700
MIC-UNK-cdc2493e-10
0.688
MIC-UNK-cdc2493e-21
0.677
MIC-UNK-cdc2493e-14
0.670
MIC-UNK-cdc2493e-11
0.659
MIC-UNK-cdc2493e-17
0.652
MIC-UNK-cdc2493e-9
0.642
MIC-UNK-cdc2493e-20
0.638
MIC-UNK-cdc2493e-13
0.633
MIC-UNK-cdc2493e-18
0.632
MIC-UNK-cdc2493e-6
0.630
MIC-UNK-cdc2493e-7
0.596
MIC-UNK-bcd487e9-3
0.573
MIC-UNK-bcd487e9-2
0.561
MIC-UNK-cdc2493e-1
0.551
VLA-UCB-05e51b3f-14
0.540
EDJ-MED-c314995a-1
0.540
MIC-UNK-bcd487e9-4
0.520
MIC-UNK-bcd487e9-6
0.520
VLA-UCB-34f3ed0c-6
0.515
PET-UNK-a17c93d1-1
0.505
MIC-UNK-cdc2493e-15
0.495
MIC-UNK-cdc2493e-2
0.495
MIC-UNK-cdc2493e-23
0.495
ADA-UCB-dc2b944c-6
0.481
VLA-UCB-34f3ed0c-7
0.481
MIC-UNK-bcd487e9-7
0.481
MIC-UNK-bcd487e9-1
0.480
ADA-UCB-dc2b944c-18
0.477
MIC-UNK-bcd487e9-9
0.476
MIC-UNK-bcd487e9-8
0.467
MIC-UNK-cdc2493e-19
0.466
MIC-UNK-cdc2493e-3
0.466
MIC-UNK-bcd487e9-5
0.466
MIC-UNK-d36ab305-5
0.465
FRA-DIA-13af2da5-1
0.465
VLA-UCB-34f3ed0c-13
0.458
MIC-UNK-5a93dd5f-2
0.457
MIC-UNK-bcd487e9-10
0.457
MIC-UNK-d36ab305-2
0.456
MIC-UNK-cdc2493e-22
0.454
NAU-LAT-2fed8305-2
0.454
MIC-UNK-cdc2493e-16
0.453
MIC-UNK-cdc2493e-24
0.453
MIC-UNK-5a93dd5f-3
0.450
VLA-UCB-34f3ed0c-5
0.450
ADA-UCB-dc2b944c-3
0.436
ADA-UCB-dc2b944c-17
0.436
NAU-LAT-2fed8305-7
0.430
MIC-UNK-5a93dd5f-1
0.430
MIC-UNK-5a93dd5f-8
0.426
EDJ-MED-cf4b0d25-4
0.422
ADA-UCB-dc2b944c-2
0.421
RYA-UNI-14580791-1
0.419
NAU-LAT-2fed8305-1
0.418
ALP-POS-f13221e1-3
0.418
ADA-UCB-6c2cb422-1
0.417
MIC-UNK-5a93dd5f-6
0.414
MIC-UNK-c66144cb-3
0.414
ALP-POS-3b848b35-4
0.414
ALP-POS-f13221e1-2
0.410
ALF-EVA-650655fc-3
0.408
ALP-POS-ddb41b15-6
0.408
MIC-UNK-5a93dd5f-11
0.407
ALF-EVA-650655fc-1
0.405
ALF-EVA-650655fc-2
0.403
MAT-POS-78e1d523-1
0.402
MIC-UNK-5a93dd5f-9
0.402
MAT-POS-53907a1c-3
0.402
MIC-UNK-5a93dd5f-7
0.400
EDJ-MED-cf4b0d25-3
0.398
EDJ-MED-ee07cf00-4
0.398
BEN-BAS-c2bc0d80-1
0.396
MIC-UNK-d36ab305-4
0.394
MAT-POS-e119ab4f-4
0.394
MIC-UNK-5a93dd5f-12
0.393
MIC-UNK-6ab519a7-1
0.393
MIC-UNK-5a93dd5f-10
0.393
NAU-LAT-a5c7d7cb-2
0.393
NIR-THE-590dedc7-1
0.393
VLA-UNK-9a7dc93f-7
0.392
MIC-UNK-5a93dd5f-4
0.389
MIC-UNK-91acba05-4
0.389
ALP-POS-477dc5b7-1
0.389
RAL-THA-05e671eb-3
0.389
EDG-MED-90036822-68
0.388
EDJ-MED-ee07cf00-18
0.388
EDG-MED-90036822-86
0.387
RAL-THA-eb6cb89c-2
0.387
JOH-UNI-3fc3434e-6
0.387
JOH-UNI-ee5ed7c8-6
0.387
PET-UNK-1320d94d-7
0.387
PET-UNK-1320d94d-8
0.387
LUO-POS-433ce175-1
0.385
MAT-POS-8e4737f4-1
0.385
DAR-DIA-6a508060-10
0.385
BEN-DND-a7517465-4
0.385
EDJ-MED-e4b030d8-13
0.385