Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |
MW: | 407.06 |
Fraction sp3: | 0.0 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 45.23 |
cLogP: | 6.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-d36ab305-5
0.644
FRA-DIA-13af2da5-1
0.644
MIC-UNK-d36ab305-2
0.627
RYA-UNI-8a7f7a0d-1
0.627
RAL-THA-2d450e86-2
0.567
LON-WEI-af038623-3
0.525
MAT-POS-fce787c2-2
0.514
RAL-THA-2d450e86-30
0.514
RAL-THA-2d450e86-33
0.500
RAL-THA-2d450e86-27
0.500
RAL-THA-2d450e86-36
0.500
ALP-POS-f13221e1-3
0.500
MIC-UNK-bcd487e9-10
0.488
NAU-LAT-2fed8305-5
0.486
MIC-UNK-bcd487e9-1
0.481
RAL-THA-2d450e86-25
0.480
PET-UNK-dd44aeb6-1
0.480
PET-UNK-dd44aeb6-2
0.480
RAL-THA-2d450e86-24
0.480
NAU-LAT-2fed8305-9
0.479
ADA-UCB-6c2cb422-1
0.479
RAL-THA-1d44ff04-4
0.474
PET-UNK-3c72d439-1
0.474
RAL-THA-2d450e86-14
0.474
RAL-THA-2d450e86-6
0.474
RAL-THA-2d450e86-15
0.474
RAL-THA-2d450e86-34
0.473
VLA-UNK-b9c208fe-2
0.473
MIC-UNK-cdc2493e-12
0.471
MIC-UNK-cdc2493e-6
0.470
MAT-POS-3b92565d-1
0.468
RAL-THA-2d450e86-29
0.468
MAT-POS-bbbbc21a-1
0.468
NAU-LAT-2fed8305-2
0.468
PET-UNK-bb7ffe78-1
0.468
ALP-POS-f13221e1-2
0.468
MAT-POS-fce787c2-9
0.468
VLA-UNK-9a7dc93f-1
0.468
ALP-POS-ddb41b15-6
0.467
MIC-UNK-cdc2493e-16
0.465
MAK-UNK-919546f0-5
0.465
MIC-UNK-cdc2493e-3
0.464
MIC-UNK-cdc2493e-11
0.464
MIC-UNK-cdc2493e-19
0.464
MIC-UNK-bcd487e9-3
0.464
MIC-UNK-bcd487e9-5
0.464
MIC-UNK-cdc2493e-23
0.464
RAL-THA-2d450e86-1
0.464
BEN-DND-d1eb1f41-6
0.463
PET-UNK-a17c93d1-1
0.461
RAL-THA-2d450e86-19
0.461
NAU-LAT-2fed8305-1
0.461
MIC-UNK-cdc2493e-18
0.460
MIC-UNK-bcd487e9-9
0.460
MAT-POS-23a8a11a-1
0.459
NAU-LAT-2fed8305-6
0.459
MIC-UNK-cdc2493e-1
0.459
MIC-UNK-cdc2493e-17
0.459
RAL-THA-2d450e86-37
0.458
BEN-BAS-c2bc0d80-2
0.458
MAK-UNK-919546f0-4
0.457
MAT-POS-f7918075-2
0.457
EDJ-MED-12c115cc-2
0.457
EDJ-MED-12c115cc-1
0.457
MAT-POS-bbbbc21a-2
0.457
RAL-THA-2d450e86-18
0.456
NAU-LAT-2fed8305-7
0.456
MAT-POS-3b92565d-2
0.456
ALP-POS-3b848b35-1
0.456
MIC-UNK-df9dcda8-3
0.456
VLA-UCB-34f3ed0c-13
0.455
MIC-UNK-cdc2493e-21
0.455
RAL-THA-2d450e86-9
0.455
MIC-UNK-cdc2493e-4
0.453
MIC-UNK-cdc2493e-5
0.453
MIC-UNK-bcd487e9-2
0.453
MAT-POS-afd4d4fd-2
0.453
MAT-POS-afd4d4fd-3
0.453
EDJ-MED-2f867453-1
0.452
MAT-POS-fb82b63d-2
0.452
MIC-UNK-df9dcda8-2
0.452
DAR-DIA-6a508060-11
0.452
RAL-THA-2d450e86-16
0.452
PET-UNK-1e7f2e90-1
0.451
MIC-UNK-16ccb665-2
0.451
RAL-THA-2d450e86-17
0.450
PET-UNK-bb7ffe78-3
0.450
BEN-DND-d1eb1f41-4
0.450
PET-UNK-dd44aeb6-3
0.450
MAT-POS-cc05818f-1
0.450
RAL-THA-2d450e86-28
0.450
MIC-UNK-16ccb665-3
0.450
MIC-UNK-cdc2493e-22
0.449
VLA-UCB-34f3ed0c-7
0.449
NAU-LAT-2fed8305-3
0.449
MIC-UNK-cdc2493e-20
0.448
MIC-UNK-bcd487e9-8
0.448
MIC-UNK-bcd487e9-7
0.448
MIC-UNK-cdc2493e-24
0.448
EDJ-MED-c314995a-1
0.448