Molecular Properties | |
SMILES: | O=C(Cc1ccccc1Cc1ccccn1)Nc1cnccc1CO |
MW: | 333.15 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 75.11 |
cLogP: | 2.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
THO-SYG-cc9e9a11-1
0.686
THO-SYG-cc9e9a11-7
0.667
THO-SYG-cc9e9a11-6
0.566
THO-SYG-cc9e9a11-8
0.471
THO-SYG-cc9e9a11-3
0.466
CHA-KIN-ceadbd93-2
0.397
CHA-KIN-ceadbd93-5
0.390
CHA-KIN-ceadbd93-1
0.388
BEN-DND-93268d01-4
0.370
THO-SYG-cc9e9a11-2
0.368
ANN-UNI-98d2bf15-1
0.362
JOH-UNI-abfda500-6
0.362
JAG-UCB-a3ef7265-23
0.360
CHA-KIN-ceadbd93-3
0.358
MAK-UNK-f203cb68-4
0.344
CHA-KIN-ceadbd93-4
0.341
WIL-UNI-5578df48-11
0.337
SAM-UNK-2684b532-9
0.333
RAL-THA-2d450e86-34
0.333
SAD-SAT-24589cd1-8
0.330
BAR-COM-0f94fc3d-34
0.329
DAR-DIA-03336633-7
0.327
MAR-TRE-7f7bb9f0-91
0.321
BAR-COM-0f94fc3d-54
0.316
MAT-POS-590ac91e-6
0.312
MAK-UNK-30aad1f1-4
0.312
MAK-UNK-f203cb68-2
0.312
JAG-UCB-a3ef7265-3
0.312
THO-SYG-cc9e9a11-4
0.306
JOH-IMS-d6628593-3
0.304
RAL-THA-2d450e86-37
0.302
RAL-THA-2d450e86-38
0.302
CHA-KIN-ceadbd93-6
0.301
RIT-AID-b8bd8251-1
0.301
SAD-SAT-24589cd1-6
0.300
TRY-UNI-714a760b-5
0.300
RAL-THA-2d450e86-26
0.300
MAK-UNK-748f8b7a-6
0.300
LON-WEI-0a73fcb8-7
0.299
BEN-DND-93268d01-7
0.299
MAK-UNK-919546f0-4
0.298
DAR-DIA-03336633-9
0.296
EDJ-MED-e58735b6-2
0.294
PET-UNK-3c72d439-1
0.293
PET-SGC-c429dc17-1
0.293
CES-WAB-18e74d70-1
0.293
DAR-DIA-03336633-8
0.293
MAK-UNK-c749d764-32
0.290
DAR-DIA-03336633-1
0.290
HAN-NEW-5f56c3bc-3
0.290
DAR-DIA-03336633-10
0.290
MAK-UNK-f2409524-33
0.290
RAL-THA-2d450e86-39
0.289
RAL-THA-2d450e86-36
0.287
ANU-UNK-2781581f-2
0.287
ALP-POS-0c2c77e1-1
0.286
DAR-DIA-03336633-15
0.286
MAT-POS-bb423b95-3
0.286
RAL-THA-2d450e86-23
0.286
PET-UNK-dd44aeb6-1
0.283
PET-UNK-dd44aeb6-2
0.283
ANT-DIA-3c79be55-1
0.283
RAL-THA-2d450e86-25
0.283
RAL-THA-2d450e86-24
0.283
BEN-DND-61647d40-18
0.282
SAM-UNK-2684b532-12
0.281
JIN-POS-6dc588a4-4
0.281
JIN-POS-6dc588a4-3
0.281
MAK-UNK-a7b37c5e-1
0.280
DAR-DIA-03336633-5
0.280
MAK-UNK-f203cb68-1
0.280
MAK-UNK-f2409524-31
0.280
LON-WEI-5e7d1b3e-49
0.280
MAK-UNK-c749d764-11
0.280
LON-WEI-4d77710c-49
0.280
JAN-GHE-83b26c96-13
0.279
BEN-DND-93268d01-13
0.279
JON-UIO-066ce08b-3
0.278
MAK-UNK-f2409524-15
0.278
RAL-THA-2d450e86-33
0.278
MAT-POS-590ac91e-7
0.277
GAB-REV-70cc3ca5-4
0.277
KAL-WAB-eb347ebe-1
0.276
NAT-WAB-78d8bb1c-2
0.276
BAR-COM-0f94fc3d-44
0.276
MAT-POS-590ac91e-11
0.275
MAT-POS-afd4d4fd-3
0.275
RAL-THA-2d450e86-40
0.275
MIH-UNI-6b9ca91a-1
0.274
JOH-IMS-d6628593-1
0.274
ANT-DIA-3c79be55-2
0.274
MAK-UNK-a7b37c5e-2
0.274
BAR-COM-0f94fc3d-57
0.274
RAL-THA-2d450e86-21
0.274
RAM-SYN-2a37ce6c-3
0.272
ALP-POS-95b75b4d-4
0.272
MIC-UNK-df9dcda8-3
0.271
EDG-MED-0da5ad92-7
0.271
NAU-LAT-30527ac5-2
0.271
ADA-UCB-6c2cb422-4
0.271