Molecular Properties | |
SMILES: | O=C(Cn1cncn1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 |
MW: | 353.08 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 54.26 |
cLogP: | 1.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-VAN-c986b20b-5
0.393
BEN-VAN-c986b20b-3
0.390
BEN-VAN-c986b20b-10
0.373
JOH-UNI-0e1753c1-3
0.370
HYO-UNK-49a60884-1
0.370
MED-COV-4280ac29-15
0.370
AAR-POS-d2a4d1df-35
0.370
AAR-POS-d2a4d1df-24
0.365
MAK-UNK-7c9d1431-16
0.359
SAD-SAT-5b1897b2-5
0.359
MAR-TRE-6a44bbf2-54
0.359
MAK-UNK-7c9d1431-29
0.357
DRR-IMP-38dce17f-6
0.352
JOK-SYG-18591e8f-1
0.346
SEL-UNI-cd366922-7
0.345
DRR-IMP-38dce17f-2
0.342
MAK-UNK-7c9d1431-14
0.342
MAT-POS-ee51dedd-1
0.342
MAK-UNK-7c9d1431-18
0.341
PAU-UNI-8cdd41c7-1
0.333
DRR-IMP-38dce17f-4
0.333
MAK-UNK-849bee6c-14
0.333
MAK-UNK-7c9d1431-21
0.333
TAM-UNI-d1c3dd9f-6
0.330
JAN-GHE-1d98ec1c-8
0.329
SAD-SAT-581007d4-2
0.329
JUL-TUD-06b2044f-147
0.326
JUL-TUD-06b2044f-98
0.325
MAK-UNK-6ca90168-13
0.325
JOH-UNI-23d9e1b1-1
0.325
DRR-IMP-38dce17f-3
0.324
MAK-UNK-7c9d1431-24
0.324
DRR-IMP-38dce17f-7
0.320
MAK-UNK-6ca90168-14
0.320
MAK-UNK-849bee6c-15
0.320
JOH-UNI-0e1753c1-2
0.316
SAD-SAT-1f400d17-6
0.315
TAM-UNI-d1c3dd9f-5
0.315
MAK-UNK-849bee6c-9
0.315
JIA-UNI-93b03cae-1
0.312
MAT-POS-2db6411e-2
0.312
SAD-SAT-581007d4-1
0.312
SAD-SAT-581007d4-7
0.312
MAK-UNK-212f693e-7
0.311
JAN-GHE-1d98ec1c-1
0.310
MAK-UNK-e4a48a85-18
0.309
JOH-UNI-0e1753c1-1
0.309
PAT-UNK-b2d83456-1
0.308
DRR-IMP-38dce17f-1
0.307
LON-WEI-8f408cad-7
0.307
MAK-UNK-212f693e-8
0.307
AAR-POS-0daf6b7e-13
0.307
BEN-VAN-c986b20b-18
0.305
MED-COV-4280ac29-33
0.305
MAK-UNK-849bee6c-7
0.303
MAK-UNK-af83ef51-1
0.301
JUL-TUD-06b2044f-67
0.301
MAK-UNK-cd94b63c-1
0.300
AHN-SAT-de2502ba-15
0.300
MAK-UNK-176ca439-3
0.300
BEN-VAN-c986b20b-4
0.300
MAK-UNK-af83ef51-14
0.299
SEL-UNI-cd366922-8
0.299
MAK-UNK-849bee6c-8
0.299
TAM-UNI-d1c3dd9f-12
0.297
MAR-TRE-66ac689e-34
0.295
BEN-VAN-c986b20b-2
0.295
BEN-VAN-c986b20b-17
0.295
WIL-LEE-23e8b574-4
0.295
MAK-UNK-849bee6c-6
0.295
SHA-LIV-041af2c0-3
0.295
VIT-UNK-2a0afa28-3
0.294
MAK-UNK-009ebe36-8
0.293
ANT-OPE-d972fbad-1
0.293
KIM-UNI-2ee5d8f9-1
0.293
SAD-SAT-2ceae68f-8
0.293
PAT-UNK-b2d83456-3
0.293
BEN-VAN-c986b20b-1
0.292
JOO-PER-58e158bd-1
0.292
BEN-VAN-c986b20b-15
0.292
TAM-UNI-d1c3dd9f-19
0.292
MAK-UNK-176ca439-4
0.292
MAK-UNK-3c359d2a-1
0.292
NEH-REV-107bcf72-5
0.291
AHN-SAT-02ef6d10-10
0.291
STE-KUL-2e0d2e88-7
0.291
JAN-GHE-1d98ec1c-2
0.289
WIL-LEE-23e8b574-3
0.289
SAD-SAT-581007d4-3
0.289
SAD-SAT-581007d4-4
0.289
TAM-UNI-d1c3dd9f-16
0.287
MAK-UNK-af83ef51-10
0.287
MED-COV-4280ac29-37
0.287
DRR-IMP-38dce17f-5
0.286
SAD-SAT-bc31ec01-1
0.286
HEI-REL-0c990a45-5
0.286
AAR-POS-0daf6b7e-2
0.286
MAK-UNK-849bee6c-12
0.284
MAK-UNK-849bee6c-16
0.284
MAK-UNK-849bee6c-4
0.284