Molecular Properties | |
SMILES: | O=C(Cc1ccccc1-c1ccccn1)Nc1cnccc1CO |
MW: | 319.13 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 75.11 |
cLogP: | 2.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
THO-SYG-cc9e9a11-2
0.690
THO-SYG-cc9e9a11-8
0.654
THO-SYG-cc9e9a11-5
0.566
THO-SYG-cc9e9a11-7
0.472
THO-SYG-cc9e9a11-4
0.449
CHA-KIN-ceadbd93-1
0.400
CHA-KIN-ceadbd93-2
0.392
CHA-KIN-ceadbd93-5
0.386
THO-SYG-cc9e9a11-1
0.368
CHA-KIN-ceadbd93-4
0.367
MAK-UNK-f203cb68-4
0.354
CHA-KIN-ceadbd93-3
0.354
JOH-UNI-abfda500-6
0.341
ANN-UNI-98d2bf15-1
0.341
JAG-UCB-a3ef7265-23
0.341
RAL-THA-2d450e86-34
0.330
SAD-SAT-24589cd1-8
0.326
DAR-DIA-03336633-7
0.323
JAG-UCB-a3ef7265-3
0.323
WIL-UNI-5578df48-11
0.318
JOH-IMS-d6628593-3
0.316
EDJ-MED-c9f55a56-1
0.313
THO-SYG-cc9e9a11-3
0.313
DAR-DIA-03336633-10
0.313
ALP-POS-0c2c77e1-1
0.311
MAT-POS-bb423b95-3
0.311
BAR-COM-0f94fc3d-34
0.310
SAD-SAT-24589cd1-6
0.310
LON-WEI-0a73fcb8-7
0.309
MAK-UNK-30aad1f1-4
0.309
MAT-POS-590ac91e-6
0.309
MAK-UNK-f203cb68-2
0.309
DAR-DIA-03336633-9
0.306
EDJ-MED-e58735b6-2
0.306
DAR-DIA-03336633-8
0.303
BEN-DND-93268d01-4
0.302
MAR-TRE-7f7bb9f0-91
0.302
SAM-UNK-2684b532-9
0.302
ROM-UNK-ef52a3c9-1
0.301
JOH-IMS-d6628593-1
0.301
BAR-COM-0f94fc3d-54
0.299
RAL-THA-2d450e86-38
0.299
CHA-KIN-ceadbd93-6
0.298
MAK-UNK-748f8b7a-6
0.297
TRY-UNI-714a760b-5
0.296
ADA-UCB-6c2cb422-4
0.295
MAK-UNK-919546f0-4
0.294
PET-UNK-dd44aeb6-2
0.293
RAL-THA-2d450e86-24
0.293
NAU-LAT-0543f7f2-8
0.293
JAN-GHE-83b26c96-13
0.291
RAL-THA-6b94ceba-5
0.290
PET-SGC-c429dc17-1
0.290
CES-WAB-18e74d70-1
0.290
WAR-XCH-b0339bbe-15
0.290
MAK-UNK-f203cb68-1
0.290
MAK-UNK-c749d764-32
0.287
GAB-REV-70cc3ca5-11
0.287
DAR-DIA-03336633-1
0.287
HAN-NEW-5f56c3bc-3
0.287
NAT-WAB-78d8bb1c-2
0.286
MAK-UNK-a7b37c5e-2
0.286
WAR-XCH-79d12f6e-15
0.284
RIT-AID-b8bd8251-1
0.284
ANU-UNK-2781581f-2
0.284
WAR-XCH-79d12f6e-13
0.284
ANN-UNI-98d2bf15-3
0.284
RAL-THA-2d450e86-36
0.284
JOH-UNI-abfda500-5
0.284
JOH-UNI-abfda500-4
0.284
RAL-THA-2d450e86-37
0.284
ALP-POS-95b75b4d-4
0.283
RAL-THA-2d450e86-26
0.283
ALP-POS-95b75b4d-8
0.282
SAM-UNK-2684b532-13
0.282
ASH-SAT-43770c7d-9
0.282
BAR-COM-0f94fc3d-40
0.282
NAU-LAT-30527ac5-2
0.281
BEN-DND-61647d40-7
0.281
BEN-DND-93268d01-7
0.281
RAL-THA-2d450e86-25
0.280
PET-UNK-dd44aeb6-1
0.280
EDJ-MED-3c65e9ce-3
0.280
EDG-MED-0da5ad92-8
0.279
ALP-POS-95b75b4d-6
0.279
TRY-UNI-2eddb1ff-2
0.279
MAK-UNK-f2409524-26
0.278
MAK-UNK-f2409524-36
0.278
ANN-UNI-98d2bf15-2
0.278
SAM-UNK-2684b532-11
0.278
SAM-UNK-2684b532-12
0.278
JIN-POS-6dc588a4-4
0.278
MAT-POS-bb423b95-5
0.278
JIN-POS-6dc588a4-3
0.278
DAR-DIA-03336633-5
0.277
MAK-UNK-f2409524-31
0.277
MAK-UNK-a7b37c5e-1
0.277
MAK-UNK-748f8b7a-9
0.277
DAR-DIA-0cde14eb-4
0.277
GAB-REV-70cc3ca5-23
0.277