Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1CN1CCN(C(=O)Nc2ccccc2)CC1 |
MW: | 353.19 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 77.57 |
cLogP: | 2.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ANU-UNK-2781581f-1
0.543
RED-SAT-26a928c9-1
0.543
AAR-POS-0daf6b7e-44
0.449
DAR-DIA-03336633-11
0.444
ANU-UNK-2781581f-3
0.425
AHN-SAT-de2502ba-7
0.425
SAD-SAT-2fd372d1-8
0.411
DAR-DIA-03336633-8
0.394
MAK-UNK-129dcd6f-6
0.388
DAR-DIA-03336633-9
0.383
SAD-SAT-7d5528d9-2
0.380
ALE-HEI-f28a35b5-16
0.377
MAK-UNK-f2409524-34
0.376
WIL-UNI-5578df48-11
0.373
MAK-UNK-7264f48c-2
0.370
AAR-POS-0daf6b7e-32
0.368
WAR-XCH-bdd24732-26
0.364
MAK-UNK-129dcd6f-1
0.363
DAR-DIA-03336633-10
0.361
EDJ-MED-3c65e9ce-3
0.360
SAD-SAT-2fd372d1-7
0.358
MAK-UNK-748f8b7a-6
0.357
SAD-SAT-24589cd1-6
0.357
MAK-UNK-129dcd6f-8
0.344
SAM-UNK-2684b532-8
0.344
TRY-UNI-714a760b-4
0.342
ALE-HEI-f28a35b5-1
0.342
MAK-UNK-129dcd6f-7
0.341
SCO-VAN-260d9628-1
0.338
ALE-HEI-f28a35b5-17
0.338
MAK-UNK-f2409524-28
0.333
HAN-NEW-5f56c3bc-3
0.333
DAR-DIA-03336633-1
0.333
WAR-XCH-bdd24732-25
0.330
MAK-UNK-30aad1f1-4
0.330
JAN-GHE-fd8d85a5-2
0.330
MAK-UNK-009ebe36-8
0.330
JAG-SYN-9c2cd0bd-6
0.329
PET-SGC-c429dc17-1
0.326
CES-WAB-18e74d70-1
0.326
KIM-UNI-7d12df64-3
0.325
JOH-IMS-62aeb97d-4
0.325
BEN-DND-6de5dfa0-2
0.323
BEN-DND-09b88bf4-1
0.323
DAR-DIA-03336633-15
0.321
WIL-UNI-5578df48-10
0.321
MAK-UNK-f2409524-33
0.320
NAT-WAB-78d8bb1c-2
0.320
RIT-AID-b8bd8251-1
0.319
BEN-DND-93268d01-8
0.318
EDJ-MED-3c65e9ce-1
0.318
BEN-DND-09b88bf4-7
0.316
MAK-UNK-f2409524-27
0.316
MAK-UNK-f2409524-25
0.314
BEN-DND-6de5dfa0-19
0.314
MAK-UNK-f2409524-1
0.312
MAK-UNK-f2409524-26
0.312
SEL-UNI-cd366922-6
0.310
MAK-UNK-f2409524-31
0.310
MAK-UNK-f2409524-24
0.310
MAK-UNK-6435e6c2-8
0.310
AAR-POS-d2a4d1df-3
0.310
MAK-UNK-f2409524-2
0.309
MAK-UNK-f2409524-15
0.309
DAR-DIA-fc970077-9
0.309
MAK-UNK-7264f48c-5
0.305
JAG-SYN-9c2cd0bd-14
0.305
TAM-UNI-d1c3dd9f-18
0.304
BEN-DND-6de5dfa0-20
0.303
BEN-DND-6de5dfa0-21
0.303
AAR-POS-d2a4d1df-11
0.303
CHA-KIN-ceadbd93-2
0.302
MAK-UNK-f203cb68-2
0.302
TRY-UNI-714a760b-8
0.301
JOO-PER-58e158bd-1
0.301
MAK-UNK-902cc841-16
0.301
MAT-POS-b5746674-110
0.297
EDJ-MED-3c65e9ce-2
0.297
SAM-UNK-2684b532-9
0.296
SID-ELM-2583a2cd-22
0.295
WIL-UNI-5578df48-12
0.295
SIM-SYN-a98e6a07-4
0.295
MAK-UNK-ae34c249-4
0.295
JOH-IMS-d6628593-1
0.294
BEN-DND-6de5dfa0-6
0.293
MAK-UNK-129dcd6f-3
0.293
GIA-UNK-3f36037a-7
0.293
SAD-SAT-7d5528d9-6
0.293
BEN-DND-031a96cc-1
0.293
JOH-IMS-d6628593-3
0.293
DRR-IMP-38dce17f-4
0.293
MAK-UNK-f2409524-23
0.291
BEN-DND-6de5dfa0-26
0.291
MAK-UNK-129dcd6f-15
0.290
JAR-IMP-ed466bb3-9
0.290
SAD-SAT-b55127ae-4
0.289
TRY-UNI-714a760b-5
0.289
HAN-NEW-5f56c3bc-1
0.289
BEN-DND-03406596-7
0.289
BEN-DND-6de5dfa0-1
0.289