Molecular Properties | |
SMILES: | CC(=O)N(C(=O)N1CCN(c2ccccc2)CC1)c1cnccc1C |
MW: | 338.411 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 56.75 |
cLogP: | 2.68512 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Filter93_acetyl_urea
BEN-DND-6de5dfa0-17
0.385
MAR-UCB-f313ec4d-6
0.358
ERI-UCB-5b47150d-3
0.356
SAD-SAT-7d5528d9-3
0.344
UNK-UNK-2ede4078-12
0.341
VLA-UCB-05e51b3f-3
0.333
ERI-UCB-5b47150d-2
0.329
ERI-UCB-5b47150d-5
0.325
MAR-SOS-82e3a7c7-3
0.315
MAR-SOS-c7881798-12
0.315
DAN-MCD-cb24a79d-1
0.312
MAR-TRE-b77b7921-69
0.309
PET-UNK-bbe8d7ff-1
0.307
DAR-DIA-5ff57136-6
0.302
DAR-DIA-5ff57136-8
0.302
NIR-THE-ed286faa-1
0.302
NAU-LAT-3f5f3993-3
0.300
EDG-MED-0da5ad92-1
0.298
JAN-GHE-83b26c96-15
0.298
NAU-LAT-3f5f3993-1
0.297
BEN-DND-6de5dfa0-26
0.296
EDJ-MED-78f964c8-1
0.295
MAT-POS-916a2c5a-4
0.295
ALE-HEI-f28a35b5-17
0.295
SCO-VAN-260d9628-1
0.295
ANU-UNK-2781581f-1
0.293
RED-SAT-26a928c9-1
0.293
BEN-DND-6de5dfa0-10
0.293
AHN-SAT-02ef6d10-3
0.289
BEN-DND-6de5dfa0-25
0.289
DAR-DIA-56cf811e-2
0.289
DAR-DIA-076fb6ea-2
0.289
JOH-UNI-a38a7bdd-3
0.289
DAR-DIA-076fb6ea-16
0.289
DAR-DIA-076fb6ea-14
0.288
ROD-UFR-9b69e111-1
0.287
BAR-COM-ebf5acce-6
0.287
TRI-UNI-97428359-1
0.286
BEN-DND-09b88bf4-1
0.286
BEN-DND-6de5dfa0-2
0.286
ANU-UNK-2781581f-2
0.283
ROD-UFR-87309d29-1
0.283
DAR-DIA-56cf811e-4
0.281
KOV-VNK-5e1a909f-43
0.280
BAR-COM-ebf5acce-1
0.280
BAR-COM-ebf5acce-3
0.280
SAM-UNK-2684b532-8
0.280
MAK-UNK-6435e6c2-8
0.279
AAR-POS-d2a4d1df-3
0.279
DAR-DIA-076fb6ea-13
0.278
DAR-DIA-076fb6ea-4
0.278
KOV-VNK-5e1a909f-50
0.278
EDJ-MED-3c65e9ce-3
0.278
PET-UNK-bbe8d7ff-2
0.278
BEN-DND-93268d01-8
0.277
EDJ-MED-3c65e9ce-1
0.277
DAR-DIA-076fb6ea-7
0.277
BAR-COM-ebf5acce-15
0.277
BAR-COM-ebf5acce-14
0.276
JOH-UNI-a38a7bdd-7
0.276
DAR-DIA-fc970077-5
0.275
JOH-UNI-a38a7bdd-4
0.275
DAR-DIA-2964957d-8
0.275
WAR-XCH-b72a1bbc-17
0.274
BEN-DND-93268d01-14
0.274
BAR-COM-ebf5acce-9
0.274
JOH-UNI-a38a7bdd-9
0.274
MAR-SOS-c7881798-3
0.273
MAR-SOS-82e3a7c7-2
0.273
ROD-LAS-d5538ff9-8
0.272
AHN-SAT-202241f6-1
0.272
TRY-UNI-714a760b-17
0.272
BAR-COM-ebf5acce-2
0.271
BEN-DND-6de5dfa0-27
0.271
RUT-UNI-630c5802-4
0.269
MAK-UNK-7264f48c-5
0.269
BAR-COM-ebf5acce-10
0.268
DAR-DIA-56cf811e-6
0.268
BEN-DND-09b88bf4-7
0.268
MAR-SOS-82e3a7c7-1
0.267
MAR-SOS-c7881798-2
0.267
MAT-POS-ea426761-76
0.266
ALE-HEI-f28a35b5-1
0.266
GIA-UNK-30c7cb75-1
0.266
TRY-UNI-714a760b-4
0.266
BEN-DND-93268d01-3
0.265
TRY-UNI-69298daf-1
0.265
HAN-NEW-5f56c3bc-5
0.265
RUT-UNI-630c5802-7
0.264
DAR-DIA-076fb6ea-6
0.263
DAR-DIA-fc970077-1
0.263
JOH-UNI-a38a7bdd-8
0.263
DAR-DIA-03336633-8
0.263
TRY-UNI-714a760b-5
0.263
DAR-DIA-fc970077-11
0.262
UNK-UNK-2ede4078-53
0.261
SAM-UNK-2684b532-10
0.260
BAR-COM-ebf5acce-13
0.260
RUT-UNI-630c5802-11
0.259
NAU-LAT-3f5f3993-2
0.259