Molecular Properties | |
SMILES: | CN1CCN(CCC(=O)Nc2ccncc2CNC(=O)NC2CC2)CC1 |
MW: | 360.462 |
Fraction sp3: | 0.61 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 89.6 |
cLogP: | 0.619200000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
SIM-DEM-2843056b-2
0.639
SIM-DEM-2843056b-3
0.576
SIM-DEM-2843056b-6
0.522
SIM-DEM-2843056b-1
0.442
SIM-DEM-2843056b-7
0.417
DAR-DIA-03336633-6
0.402
SIM-DEM-2843056b-5
0.370
BEN-DND-93268d01-9
0.353
BEN-DND-09b88bf4-5
0.353
SIM-DEM-1d7050d3-1
0.330
MAR-TRE-67513f76-24
0.312
SIM-DEM-2d7ee9fd-1
0.310
BEN-DND-6de5dfa0-14
0.309
DAR-DIA-03336633-2
0.308
MAK-UNK-f2409524-33
0.305
BEN-DND-6de5dfa0-5
0.304
PET-SGC-276eba5a-1
0.303
LON-WEI-af038623-1
0.300
NAU-LAT-3f5f3993-2
0.297
EDJ-MED-3c65e9ce-4
0.297
PET-SGC-c429dc17-1
0.296
CES-WAB-18e74d70-1
0.296
MAK-UNK-f2409524-15
0.294
DAR-DIA-03336633-12
0.294
SAD-SAT-135344c3-9
0.291
NIC-UNI-f08e2453-2
0.291
SIM-DEM-4fb93ec7-1
0.290
MAR-TRE-c317dd82-23
0.288
AAR-UNI-c25c2f1e-38
0.287
MAK-UNK-f2409524-34
0.286
TRY-UNI-9f475305-1
0.284
DAR-DIA-03336633-5
0.283
DAR-DIA-43a5904b-17
0.282
SIM-SYN-a98e6a07-4
0.282
SAM-UNK-2684b532-9
0.282
MAT-POS-590ac91e-7
0.281
FRA-FAC-9ed5a63a-3
0.281
TRY-UNI-714a760b-11
0.281
ALE-HEI-f28a35b5-7
0.281
GAB-REV-70cc3ca5-3
0.278
BEN-DND-93268d01-11
0.278
DAR-DIA-03336633-7
0.278
CHA-KIN-ceadbd93-6
0.277
MAT-POS-590ac91e-10
0.275
MAT-POS-590ac91e-24
0.275
BEN-DND-6de5dfa0-21
0.274
JOR-UNI-2fc98d0b-11
0.274
SCO-VAN-260d9628-1
0.273
NIC-BIO-25446079-3
0.273
ALE-HEI-f28a35b5-17
0.273
BEN-DND-93268d01-8
0.272
EDJ-MED-3c65e9ce-1
0.272
DAR-DIA-03336633-8
0.271
DAR-DIA-03336633-13
0.271
MAK-UNK-f2409524-31
0.271
BEN-DND-6de5dfa0-16
0.271
NIR-THE-b7e8e081-2
0.271
MAK-UNK-f2409524-18
0.269
SAD-SAT-135344c3-7
0.269
BEN-DND-6de5dfa0-19
0.269
HAN-NEW-5f56c3bc-3
0.269
DAR-DIA-03336633-1
0.269
DOU-UNK-b5326f8f-18
0.269
EDJ-MED-3c65e9ce-2
0.268
BEN-DND-22e6b372-2
0.268
PET-SGC-05cff2e1-1
0.268
MAK-UNK-f2409524-35
0.266
PET-SGC-fedd1f79-1
0.265
BEN-DND-6de5dfa0-6
0.265
BEN-DND-6de5dfa0-15
0.265
BEN-DND-09b88bf4-8
0.265
MAR-TRE-799db12b-51
0.265
ALE-HEI-f28a35b5-12
0.264
MIC-UNK-ea979c74-1
0.263
NAU-LAT-3f5f3993-5
0.263
BEN-DND-09b88bf4-3
0.263
BEN-DND-6de5dfa0-3
0.263
ALP-POS-95b75b4d-4
0.263
DAR-DIA-0cde14eb-64
0.263
SIM-SYN-a98e6a07-2
0.263
MAK-UNK-f2409524-36
0.262
SAM-UNK-2684b532-8
0.262
ANU-UNK-2781581f-1
0.262
RED-SAT-26a928c9-1
0.262
JOR-UNI-2fc98d0b-5
0.262
MIH-UNI-6b9ca91a-3
0.262
BAR-COM-0f94fc3d-26
0.262
EDJ-MED-c9f55a56-1
0.261
BEN-DND-93268d01-10
0.261
BEN-DND-6de5dfa0-1
0.260
BEN-DND-6de5dfa0-4
0.260
BEN-DND-03406596-7
0.260
BEN-DND-09b88bf4-4
0.260
BEN-DND-09b88bf4-2
0.260
BEN-DND-6de5dfa0-20
0.260
NIR-THE-b7e8e081-1
0.260
MAT-POS-590ac91e-25
0.260
DAR-DIA-0cde14eb-63
0.260
AAR-UNI-c25c2f1e-3
0.260
GAB-REV-70cc3ca5-12
0.260