Molecular Properties | |
SMILES: | O=C(NCc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1Cc1ccccc1 |
MW: | 469.585 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 78.51 |
cLogP: | 3.264 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
alpha_dicarbonyl
diketo group
α-Diketones
Ketones
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
Ketone
Long aliphatic chain
Oxalyl
AAR-POS-d2a4d1df-1
MAR-SOS-82e3a7c7-9
1.000
MAR-SOS-c7881798-11
0.753
MAR-SOS-82e3a7c7-10
0.753
MAR-SOS-82e3a7c7-8
0.652
MAR-SOS-c7881798-5
0.652
MAR-SOS-82e3a7c7-7
0.476
MAR-SOS-c7881798-8
0.476
MAR-SOS-82e3a7c7-12
0.451
MAR-SOS-c7881798-4
0.451
MAR-SOS-82e3a7c7-1
0.394
MAR-SOS-c7881798-2
0.394
MAR-SOS-82e3a7c7-2
0.353
MAR-SOS-c7881798-3
0.353
SER-UNI-400afb01-4
0.340
MAR-SOS-c7881798-6
0.337
MAR-SOS-82e3a7c7-6
0.337
MAR-SOS-82e3a7c7-4
0.330
MAR-SOS-c7881798-7
0.330
MAK-UNK-a7992eb3-26
0.319
MAR-SOS-c7881798-12
0.317
MAR-SOS-82e3a7c7-3
0.317
MAR-SOS-82e3a7c7-11
0.316
MAR-SOS-c7881798-1
0.316
AAR-POS-0daf6b7e-26
0.313
MAK-UNK-6435e6c2-9
0.313
ARI-TAT-5792557e-27
0.308
MAK-UNK-1bb0b7ee-13
0.297
MAR-SOS-82e3a7c7-5
0.297
MAR-SOS-c7881798-10
0.297
JOH-UNI-c7afdb96-15
0.294
DAN-MCD-b3a5626f-1
0.290
MAK-UNK-b1d4dcd7-4
0.290
DAN-MCD-1c3944e2-1
0.290
DAN-MCD-9b81d1fa-1
0.290
MAK-UNK-f983951f-22
0.289
SAD-SAT-c989feaa-4
0.284
IFT-SAT-023cfffe-1
0.281
BAR-COM-4e090d3a-19
0.280
JUA-UNI-b93289a4-6
0.278
LON-WEI-1908424e-1
0.277
DAN-MCD-5390ac8b-1
0.275
BAR-COM-4e090d3a-56
0.275
IFT-SAT-023cfffe-2
0.274
YUN-WES-85ecc354-1
0.273
YUN-WES-58b0dbae-6
0.273
ARI-TAT-5792557e-26
0.273
FRA-BIO-8bf1eac9-8
0.272
MAK-UNK-b1d4dcd7-5
0.271
MAK-UNK-b1d4dcd7-6
0.271
MAK-UNK-987948f6-1
0.270
MAR-TRE-87acfbcc-18
0.269
MAK-UNK-1bb0b7ee-11
0.268
SAD-SAT-2fd372d1-2
0.267
GIA-UNK-595fac82-5
0.267
MAR-TRE-74c6519b-24
0.267
JUA-UNI-a9dfaed1-6
0.266
MAK-UNK-a7992eb3-5
0.265
GIA-UNK-3f36037a-5
0.264
GIA-UNK-3f36037a-6
0.264
YOI-UNK-15f562e8-1
0.264
ARI-TAT-26e9d03d-4
0.263
MAK-UNK-27459e11-12
0.262
DRA-CSI-47e38074-3
0.261
WIL-UNI-1faa9b10-51
0.260
ARI-TAT-5792557e-25
0.260
MAR-TRE-fd17a9b8-6
0.260
MAK-UNK-a7992eb3-20
0.259
GIA-UNK-5ec6c2b8-3
0.259
ARI-TAT-5792557e-16
0.258
NIC-BIO-3276ca7f-4
0.257
MAK-UNK-b1d4dcd7-10
0.257
NIC-BIO-3276ca7f-7
0.255
AAR-POS-fca48359-3
0.255
DAV-UNI-bdcebb58-1
0.255
MAK-UNK-a7992eb3-18
0.254
DRA-CSI-47e38074-2
0.253
MAR-TRE-e86a56b5-19
0.253
ARI-TAT-5792557e-18
0.252
NAU-LAT-64f4b287-9
0.250
MAK-UNK-a7992eb3-13
0.250
MAK-UNK-1bb0b7ee-8
0.250
DAV-UNI-bdcebb58-4
0.250
MAK-UNK-b1d4dcd7-9
0.248
VAL-ASS-c8151e3f-1
0.248
SAL-INS-68b48d12-3
0.248
DRA-CSI-47e38074-4
0.247
MAK-UNK-7c9d1431-24
0.247
DRR-IMP-38dce17f-3
0.247
GIA-UNK-d2defdc3-7
0.245
ARI-TAT-5792557e-28
0.245
YUN-WES-58b0dbae-8
0.244
YUN-WES-64c64eb2-6
0.244
NIC-BIO-b40446ce-2
0.243
MAK-UNK-c44f4be0-10
0.243
FAR-UNI-a04c1544-1
0.242
MAK-UNK-a7992eb3-21
0.241
SAD-SAT-29425be4-29
0.241
NIM-UNI-bb9030bf-1
0.240
ADR-MCR-f276533c-1
0.239
YUN-WES-58b0dbae-2
0.239