Molecular Properties | |
SMILES: | O=C(CC1(Cn2cnnn2)CCCCC1)Nc1cnccc1CO |
MW: | 330.392 |
Fraction sp3: | 0.56 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 105.82 |
cLogP: | 1.5397 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2480367211 |
MAR-TRE-f6f5f473-52
0.627
CHA-KIN-ceadbd93-5
0.532
CHA-KIN-ceadbd93-1
0.474
CHA-KIN-ceadbd93-2
0.430
MAT-POS-590ac91e-6
0.380
CHA-KIN-ceadbd93-3
0.373
THO-SYG-cc9e9a11-6
0.367
CHR-SOS-59746812-6
0.365
CHR-SOS-59746812-5
0.341
THO-SYG-cc9e9a11-5
0.341
CHR-SOS-59746812-2
0.337
THO-SYG-cc9e9a11-8
0.333
CHA-KIN-ceadbd93-6
0.330
MAR-TRE-04c86cea-81
0.322
CHR-SOS-59746812-1
0.315
MAT-POS-590ac91e-15
0.314
JAG-UCB-a3ef7265-3
0.312
PET-SGC-d0156db4-2
0.312
DAR-DIA-03336633-9
0.310
MED-UNK-e6e8ef8a-6
0.310
MAT-POS-590ac91e-9
0.310
MAK-UNK-7264f48c-2
0.309
MAR-TRE-2fd8122f-32
0.305
JOH-IMS-d6628593-3
0.305
MAR-TRE-04c86cea-86
0.303
CHR-SOS-59746812-4
0.302
MAR-TRE-2fd8122f-21
0.302
THO-SYG-cc9e9a11-7
0.301
LON-WEI-0a73fcb8-7
0.300
MAT-POS-590ac91e-25
0.300
DAR-DIA-03336633-11
0.297
PET-SGC-c429dc17-1
0.295
CES-WAB-18e74d70-1
0.295
MAK-UNK-f2409524-24
0.294
WAR-XCH-e55cba98-11
0.292
MAK-UNK-f2409524-28
0.291
JOH-IMS-d6628593-1
0.291
MAK-UNK-f2409524-23
0.288
CHR-SOS-e960e883-4
0.288
JAG-UCB-a3ef7265-23
0.287
WAR-XCH-b0339bbe-9
0.286
MAK-UNK-f2409524-34
0.284
ALP-POS-95b75b4d-6
0.284
SIM-DEM-163f01e0-1
0.283
MAK-UNK-f2409524-1
0.283
SIM-DEM-2d7ee9fd-1
0.283
MAK-UNK-f2409524-30
0.282
DAR-DIA-03336633-5
0.282
BAR-COM-0f94fc3d-49
0.281
DAR-DIA-0cde14eb-4
0.281
CHR-SOS-f7373dd1-2
0.281
MAK-UNK-f2409524-32
0.280
MAK-UNK-f2409524-15
0.280
MAK-UNK-f203cb68-4
0.279
CHR-SOS-59746812-3
0.278
DAR-DIA-03336633-7
0.276
BEN-DND-93268d01-11
0.276
RIT-AID-b8bd8251-1
0.276
ANU-UNK-2781581f-2
0.276
MAK-UNK-f2409524-25
0.275
DAR-DIA-03336633-6
0.275
NAU-LAT-3f5f3993-5
0.275
BEN-DND-09b88bf4-3
0.275
BEN-DND-6de5dfa0-3
0.275
DAR-DIA-0cde14eb-64
0.274
DAR-DIA-0cde14eb-1
0.274
DAR-DIA-0cde14eb-61
0.274
SAD-SAT-24589cd1-8
0.274
MAK-UNK-f203cb68-2
0.273
MAT-POS-590ac91e-24
0.273
MAK-UNK-f2409524-27
0.273
DAR-DIA-0cde14eb-16
0.272
CHR-SOS-f7373dd1-1
0.272
DAR-DIA-0cde14eb-2
0.271
DAR-DIA-0cde14eb-62
0.271
CHR-SOS-b301fc01-6
0.270
MAK-UNK-f2409524-26
0.270
TRY-UNI-2eddb1ff-2
0.270
EDG-MED-0da5ad92-8
0.270
MAK-UNK-f2409524-21
0.269
DAR-DIA-03336633-8
0.269
CHR-SOS-e960e883-5
0.269
MAK-UNK-f2409524-31
0.269
MAK-UNK-f203cb68-1
0.269
DAR-DIA-0cde14eb-3
0.268
CHR-SOS-b301fc01-3
0.268
MAK-UNK-f2409524-2
0.267
SAD-SAT-7d5528d9-2
0.267
MAK-UNK-f2409524-33
0.267
EDJ-MED-e58735b6-2
0.267
DAR-DIA-03336633-1
0.267
HAN-NEW-5f56c3bc-3
0.267
DAR-DIA-03336633-10
0.267
PET-SGC-1fc12be1-1
0.267
MAK-UNK-748f8b7a-6
0.264
DAR-DIA-0cde14eb-19
0.264
SAD-SAT-24589cd1-6
0.264
WIL-UNI-5578df48-11
0.264
MAR-TRE-7f7bb9f0-91
0.264
CHR-SOS-70e4c98a-1
0.263