Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1CCC1NCc2cn(C3CCCCC3)nc21 |
MW: | 353.47 |
Fraction sp3: | 0.55 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 71.84 |
cLogP: | 3.5188 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CES-WAB-18e74d70-1
0.417
PET-SGC-c429dc17-1
0.417
MAK-UNK-f2409524-26
0.400
MAK-UNK-f2409524-2
0.396
MAK-UNK-f2409524-15
0.396
MAK-UNK-f2409524-24
0.394
MAK-UNK-f2409524-27
0.390
MAK-UNK-f2409524-1
0.386
MAK-UNK-f2409524-29
0.360
MAK-UNK-f2409524-28
0.352
MAK-UNK-f2409524-23
0.349
MAK-UNK-f2409524-34
0.342
MAK-UNK-f2409524-21
0.330
MAK-UNK-f2409524-31
0.330
MAK-UNK-f2409524-32
0.327
MAK-UNK-f2409524-33
0.327
CHA-KIN-ceadbd93-2
0.326
DAR-DIA-03336633-6
0.322
ANU-UNK-2781581f-2
0.314
DAR-DIA-03336633-7
0.312
CHA-KIN-ceadbd93-3
0.309
DAR-DIA-03336633-9
0.309
DAR-DIA-03336633-11
0.309
DAR-DIA-03336633-5
0.306
DAR-DIA-03336633-8
0.306
MAK-UNK-f2409524-35
0.305
JOH-IMS-d6628593-1
0.305
MAK-UNK-f2409524-30
0.305
HAN-NEW-5f56c3bc-3
0.304
DAR-DIA-03336633-1
0.304
NAT-WAB-78d8bb1c-2
0.303
CHA-KIN-ceadbd93-6
0.302
MAK-UNK-f2409524-20
0.301
MAK-UNK-f2409524-22
0.300
DAR-DIA-03336633-3
0.297
MAK-UNK-7264f48c-2
0.296
MAK-UNK-f2409524-36
0.294
MAK-UNK-f2409524-18
0.294
MAK-UNK-f2409524-19
0.290
CHA-KIN-6d173bb5-2
0.286
KEI-TRE-d5e2018a-77
0.283
MAR-TRE-b77b7921-53
0.283
DAR-DIA-03336633-4
0.279
CHA-KIN-6d173bb5-1
0.279
JOH-IMS-d6628593-3
0.277
CHA-KIN-ceadbd93-4
0.275
MAK-UNK-f2409524-16
0.271
SAD-SAT-7d5528d9-2
0.270
DAR-DIA-03336633-10
0.270
TRY-UNI-714a760b-11
0.268
ALE-HEI-f28a35b5-7
0.268
CHA-KIN-ceadbd93-1
0.267
TRY-UNI-714a760b-10
0.265
EDG-MED-0da5ad92-4
0.265
ALE-HEI-f28a35b5-6
0.265
CHA-KIN-04ae69e8-1
0.264
CHA-KIN-cd2ef30b-2
0.260
CHA-KIN-ceadbd93-5
0.260
MAK-UNK-b2c98f02-2
0.256
MAK-UNK-f2409524-17
0.256
MAK-UNK-f203cb68-2
0.252
CHA-KIN-cd2ef30b-3
0.252
MAK-UNK-f203cb68-1
0.250
MAK-UNK-902cc841-16
0.250
TRY-UNI-714a760b-16
0.248
CHA-KIN-f512e507-3
0.246
DOU-UNK-b5326f8f-3
0.245
AAR-POS-d2a4d1df-3
0.244
MAK-UNK-6435e6c2-8
0.244
WAR-XCH-b0339bbe-9
0.244
CHA-KIN-f512e507-1
0.243
RIT-AID-b8bd8251-1
0.243
WIL-UNI-5578df48-11
0.243
LON-WEI-af038623-1
0.241
DAR-DIA-03336633-2
0.239
CHA-KIN-f512e507-2
0.239
MAR-TRE-74c6519b-57
0.238
MAT-POS-590ac91e-24
0.238
BAR-COM-0f94fc3d-59
0.236
MAK-UNK-7264f48c-1
0.236
CHA-KIN-cd2ef30b-1
0.236
TRY-UNI-9f475305-5
0.235
PET-SGC-01d224dd-1
0.235
HAR-NEW-ca1d46ce-2
0.235
ALE-HEI-f28a35b5-17
0.235
SCO-VAN-260d9628-1
0.235
EDJ-MED-3c65e9ce-2
0.234
MAR-TRE-3e4e6814-62
0.234
BEN-DND-6de5dfa0-14
0.234
NAU-LAT-3f5f3993-2
0.233
EDJ-MED-3c65e9ce-4
0.233
LON-WEI-0a73fcb8-7
0.233
MAT-POS-590ac91e-6
0.232
MAT-POS-590ac91e-19
0.232
MAK-UNK-902cc841-18
0.232
BEN-DND-6de5dfa0-6
0.231
BEN-DND-6de5dfa0-15
0.231
MAT-POS-044491d2-1
0.231
DAR-DIA-0cde14eb-16
0.231
SAD-SAT-7d5528d9-35
0.231