Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1Nc1cc(-c2ccccc2)cc(N)n1 |
| MW: | 276.343 |
| Fraction sp3: | 0.06 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 63.83 |
| cLogP: | 3.77782 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
aniline
MIH-UNI-3396182e-3
0.524
MIH-UNI-3396182e-1
0.500
MIH-UNI-3396182e-4
0.367
TRY-UNI-714a760b-5
0.342
LON-WEI-af038623-7
0.342
TRY-UNI-714a760b-4
0.329
ALE-HEI-f28a35b5-1
0.329
SCO-VAN-260d9628-1
0.324
ALE-HEI-f28a35b5-17
0.324
JOH-UNI-abfda500-6
0.321
ANN-UNI-98d2bf15-1
0.321
RED-SAT-26a928c9-1
0.318
ANU-UNK-2781581f-1
0.318
JAN-GHE-83b26c96-9
0.317
BEN-DND-93268d01-14
0.316
BEN-DND-93268d01-13
0.316
AHN-SAT-202241f6-1
0.316
TRY-UNI-714a760b-17
0.316
MIH-UNI-3396182e-10
0.313
AAR-POS-d2a4d1df-3
0.312
MAK-UNK-6435e6c2-8
0.312
ABI-SAT-4d06482b-1
0.312
WAR-XCH-bdd24732-23
0.310
IND-SYN-2c708b29-2
0.308
BEN-DND-93268d01-3
0.308
DAR-DIA-2964957d-2
0.305
ALP-POS-95b75b4d-2
0.300
JAN-GHE-83b26c96-12
0.296
BEN-DND-6de5dfa0-2
0.295
BEN-DND-09b88bf4-1
0.295
MIH-UNI-6b9ca91a-1
0.295
MAR-UNA-df66f71a-1
0.294
BEN-DND-93268d01-2
0.293
NAU-LAT-3f5f3993-1
0.292
EDJ-MED-e58735b6-4
0.292
ASH-SAT-43770c7d-9
0.292
BEN-DND-09b88bf4-7
0.290
MAK-UNK-6ca90168-27
0.290
SAM-UNK-2684b532-2
0.287
ANN-UNI-98d2bf15-2
0.286
CHR-SOS-1f323c23-10
0.286
MAK-UNK-6ca90168-26
0.286
SAM-UNK-2684b532-1
0.284
THO-SYG-cc9e9a11-2
0.284
TRY-UNI-714a760b-6
0.284
JAN-GHE-83b26c96-13
0.284
EDJ-MED-e58735b6-2
0.284
GAB-REV-70cc3ca5-20
0.284
BAR-COM-0f94fc3d-19
0.282
JAN-GHE-83b26c96-20
0.282
EDG-MED-0da5ad92-11
0.282
TRY-UNI-714a760b-20
0.282
WAR-XCH-e55cba98-11
0.281
MAK-UNK-129dcd6f-16
0.281
ALP-POS-95b75b4d-1
0.280
EDG-MED-0da5ad92-3
0.280
CHR-SOS-1f323c23-7
0.279
DAR-DIA-0cde14eb-78
0.279
EDJ-MED-e58735b6-3
0.279
CHR-SOS-363cfb78-7
0.278
DAR-DIA-53551c05-2
0.278
DAN-RED-da448e80-1
0.276
DAR-DIA-0cde14eb-8
0.276
ALP-POS-95b75b4d-15
0.276
MAK-UNK-129dcd6f-15
0.276
PED-UNI-8d53fd73-1
0.276
MAT-POS-1e5f28a7-1
0.276
DRE-WAB-eb790b7a-1
0.276
CHR-SOS-1f323c23-4
0.276
DAR-DIA-0cde14eb-7
0.276
PED-UNI-5b7f1100-1
0.276
PET-SGC-2e937068-1
0.276
JAN-GHE-83b26c96-21
0.275
SAM-UNK-2684b532-8
0.275
MAT-POS-590ac91e-1
0.274
ERI-UCB-5b47150d-1
0.274
MAT-POS-590ac91e-2
0.274
EDJ-MED-e58735b6-1
0.274
MIH-UNI-3396182e-12
0.274
CHO-MSK-6e55470f-6
0.274
JAN-GHE-83b26c96-11
0.273
DAR-DIA-0cde14eb-2
0.273
VLA-UCB-00f2c2b3-2
0.273
MAK-UNK-129dcd6f-17
0.273
BEN-DND-93268d01-12
0.272
BEN-DND-6de5dfa0-13
0.272
BEN-DND-6de5dfa0-10
0.272
MAT-POS-590ac91e-17
0.272
TRY-UNI-714a760b-12
0.272
EDG-MED-0da5ad92-8
0.272
JAG-UCB-cedd89ab-8
0.272
EDJ-MED-3c65e9ce-1
0.272
BEN-DND-93268d01-8
0.272
TRY-UNI-2eddb1ff-2
0.272
JAN-GHE-83b26c96-14
0.271
EDG-MED-0da5ad92-5
0.271
BEN-DND-6de5dfa0-7
0.271
ALP-POS-95b75b4d-3
0.271
JAN-GHE-83b26c96-23
0.271
DAR-DIA-0cde14eb-76
0.271