Molecular Properties | |
SMILES: | NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCCN1Cc1ccccc1 |
MW: | 379.46 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 92.5 |
cLogP: | 1.4329 |
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-82e3a7c7-10
1.000
MAR-SOS-c7881798-9
0.753
MAR-SOS-82e3a7c7-9
0.753
MAR-SOS-c7881798-5
0.544
MAR-SOS-82e3a7c7-8
0.544
MAR-SOS-82e3a7c7-1
0.412
MAR-SOS-c7881798-2
0.412
MAR-SOS-c7881798-1
0.410
MAR-SOS-82e3a7c7-11
0.410
MAR-SOS-82e3a7c7-7
0.385
MAR-SOS-c7881798-8
0.385
MAR-SOS-82e3a7c7-2
0.383
MAR-SOS-c7881798-3
0.383
SER-UNI-400afb01-4
0.367
AAR-POS-0daf6b7e-26
0.347
MAK-UNK-6435e6c2-9
0.347
MAR-SOS-82e3a7c7-4
0.344
MAR-SOS-c7881798-7
0.344
ARI-TAT-5792557e-27
0.330
MAK-UNK-a7992eb3-26
0.330
MAR-SOS-82e3a7c7-3
0.330
MAR-SOS-c7881798-12
0.330
MAR-SOS-c7881798-10
0.323
MAR-SOS-82e3a7c7-5
0.323
MAK-UNK-f983951f-22
0.320
SAD-SAT-c989feaa-4
0.310
MAK-UNK-1bb0b7ee-13
0.308
MAK-UNK-27459e11-12
0.307
MAK-UNK-b1d4dcd7-6
0.306
MAR-SOS-c7881798-4
0.305
MAR-SOS-82e3a7c7-12
0.305
BAR-COM-4e090d3a-56
0.298
GIA-UNK-595fac82-5
0.293
MAK-UNK-1bb0b7ee-11
0.292
ARI-TAT-5792557e-26
0.292
MAR-TRE-87acfbcc-18
0.292
MAK-UNK-b1d4dcd7-4
0.287
GIA-UNK-5ec6c2b8-3
0.286
YOI-UNK-15f562e8-1
0.284
IFT-SAT-023cfffe-2
0.283
ARI-TAT-26e9d03d-4
0.282
MAK-UNK-b1d4dcd7-5
0.280
MAK-UNK-987948f6-1
0.279
FAR-UNI-a04c1544-1
0.278
BAR-COM-4e090d3a-19
0.277
MAK-UNK-b1d4dcd7-10
0.276
MAR-TRE-e86a56b5-19
0.276
AAR-POS-fca48359-3
0.276
MAR-TRE-74c6519b-24
0.276
DAV-UNI-bdcebb58-1
0.276
JUA-UNI-b93289a4-6
0.274
MAR-TRE-e86a56b5-36
0.273
MAK-UNK-a7992eb3-5
0.273
MAK-UNK-1bb0b7ee-8
0.272
DRA-CSI-47e38074-3
0.272
FAR-UNI-124f5ee8-1
0.271
MAK-UNK-a7992eb3-13
0.270
SAL-INS-68b48d12-11
0.270
DAV-UNI-bdcebb58-4
0.270
ARI-TAT-5792557e-18
0.270
SAL-INS-68b48d12-3
0.268
SAL-INS-68b48d12-4
0.268
JOH-IMS-7e73aedd-4
0.268
MAK-UNK-a7992eb3-20
0.267
ARI-TAT-5792557e-25
0.267
MAK-UNK-b1d4dcd7-9
0.267
ARI-TAT-5792557e-28
0.267
IFT-SAT-023cfffe-1
0.266
AAR-POS-fca48359-12
0.265
FAR-UNI-9a76d7b5-1
0.265
NAU-LAT-64f4b287-10
0.264
DRA-CSI-47e38074-2
0.263
SAL-INS-68b48d12-12
0.263
MAK-UNK-27459e11-5
0.263
JUA-UNI-a9dfaed1-6
0.261
DRA-CSI-47e38074-5
0.260
MAR-SOS-c7881798-6
0.260
MAR-SOS-82e3a7c7-6
0.260
MAR-TRE-f6f5f473-80
0.258
DRR-IMP-38dce17f-3
0.256
MAK-UNK-7c9d1431-24
0.256
DRA-CSI-47e38074-4
0.256
DAN-LON-a5fc619e-1
0.256
ARI-TAT-5792557e-29
0.255
MAR-TRE-fd17a9b8-6
0.255
MAK-UNK-1bb0b7ee-4
0.255
NIM-UNI-36e12f95-2
0.255
VAL-ASS-c8151e3f-1
0.255
ARI-TAT-5792557e-16
0.254
TAL-GIT-198ceb8d-1
0.254
SAD-SAT-1f400d17-1
0.253
JUS-UNI-57125a42-1
0.253
BAR-COM-4e090d3a-36
0.250
MAR-TRE-e86a56b5-55
0.250
MAR-TRE-e86a56b5-69
0.250
SAL-INS-a5f8a8b9-1
0.250
MAK-UNK-a7992eb3-18
0.250
DRA-CSI-47e38074-10
0.250
ALE-UNK-fca05062-6
0.250
VAL-ASS-db6a4353-1
0.250