Molecular Properties | |
SMILES: | Cc1ccncc1NCCc1cccc(CN2CCOCC2)c1 |
MW: | 311.2 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 37.39 |
cLogP: | 2.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-16
0.635
SAD-SAT-7d5528d9-1
0.595
SAD-SAT-7d5528d9-2
0.494
SAD-SAT-7d5528d9-13
0.460
JOH-ILL-da934517-3
0.456
SAD-SAT-7d5528d9-3
0.443
MAK-UNK-987948f6-12
0.411
AAR-POS-0daf6b7e-29
0.408
JOH-IMS-1436231f-6
0.408
BEN-DND-93268d01-10
0.405
JOH-ILL-da934517-1
0.402
SAD-SAT-7d5528d9-7
0.402
SAD-SAT-7d5528d9-31
0.400
SAD-SAT-7d5528d9-12
0.396
WIL-LEE-23e8b574-3
0.395
MAK-UNK-987948f6-10
0.387
SAD-SAT-7d5528d9-19
0.373
MAK-UNK-987948f6-11
0.367
SAD-SAT-7d5528d9-14
0.366
SAD-SAT-7d5528d9-22
0.360
SAD-SAT-7d5528d9-9
0.348
JAR-KUA-672ec752-7
0.348
SAD-SAT-7d5528d9-6
0.347
EDJ-MED-e58735b6-2
0.345
ALP-POS-f13221e1-4
0.345
SAD-SAT-24589cd1-6
0.343
SAD-SAT-7d5528d9-18
0.337
SAD-SAT-7d5528d9-4
0.327
BEN-DND-93268d01-6
0.326
MAK-UNK-849bee6c-9
0.323
JOH-ILL-da934517-4
0.322
SAD-SAT-135344c3-9
0.320
TAM-UNI-d1c3dd9f-12
0.319
SAM-UNK-2684b532-8
0.316
JAN-GHE-1d98ec1c-2
0.314
ALP-POS-95b75b4d-2
0.314
TRY-UNI-714a760b-6
0.314
EDG-MED-0da5ad92-6
0.314
ALP-POS-305f6ec3-58
0.312
BEN-DND-93268d01-9
0.310
BEN-DND-09b88bf4-5
0.310
DAR-DIA-0cde14eb-79
0.308
MAK-UNK-849bee6c-8
0.307
MAT-POS-590ac91e-28
0.307
JAN-GHE-83b26c96-17
0.307
JOH-ILL-da934517-2
0.305
DAR-DIA-0cde14eb-2
0.301
ANN-UNI-98d2bf15-2
0.300
SAD-SAT-7d5528d9-35
0.300
NIR-THE-b7e8e081-2
0.300
BEN-DND-6de5dfa0-16
0.300
JAN-GHE-83b26c96-13
0.299
DAR-DIA-0cde14eb-4
0.298
TRY-UNI-714a760b-20
0.297
SAD-SAT-7d5528d9-27
0.296
SAM-UNK-2684b532-9
0.296
JAN-GHE-83b26c96-12
0.295
ALP-POS-95b75b4d-1
0.295
GAB-REV-70cc3ca5-11
0.295
BEN-DND-93268d01-11
0.294
BEN-DND-09b88bf4-8
0.293
PET-SGC-276eba5a-1
0.292
MAK-UNK-6435e6c2-8
0.292
AAR-POS-d2a4d1df-3
0.292
DAR-DIA-0cde14eb-1
0.290
ALP-POS-95b75b4d-4
0.290
GAB-REV-70cc3ca5-8
0.290
TRY-UNI-714a760b-5
0.289
BEN-DND-6de5dfa0-1
0.289
EDJ-MED-e58735b6-1
0.289
BEN-DND-03406596-7
0.289
BEN-DND-09b88bf4-4
0.289
BEN-DND-09b88bf4-2
0.289
BEN-DND-6de5dfa0-4
0.289
IND-SYN-2c708b29-2
0.288
BEN-DND-93268d01-8
0.287
EDJ-MED-3c65e9ce-1
0.287
SAD-SAT-7d5528d9-5
0.286
JAN-GHE-83b26c96-14
0.286
ALP-POS-95b75b4d-3
0.286
MAK-UNK-6ca90168-26
0.286
DAR-DIA-0cde14eb-76
0.286
TRY-UNI-9f475305-1
0.286
JAN-GHE-83b26c96-9
0.286
DAR-DIA-0cde14eb-3
0.284
SAD-SAT-7d5528d9-17
0.284
GAB-REV-70cc3ca5-23
0.284
EDJ-MED-3c65e9ce-4
0.284
SAD-SAT-7d5528d9-50
0.283
ERI-UCB-5b47150d-6
0.282
PET-SGC-6016d8e6-1
0.282
ALP-POS-305f6ec3-11
0.281
GAB-REV-70cc3ca5-19
0.281
WAR-XCH-bdd24732-23
0.281
ALE-HEI-f28a35b5-12
0.280
ALE-HEI-f28a35b5-13
0.280
EDG-MED-0da5ad92-20
0.280
BAR-COM-0f94fc3d-33
0.280
BEN-DND-6de5dfa0-6
0.280
DAR-DIA-0cde14eb-78
0.280