Molecular Properties | |
SMILES: | CC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C(=O)N(C(C)=O)C3=CNCC=C3C)CC2)c1 |
MW: | 460.556 |
Fraction sp3: | 0.41 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 107.1 |
cLogP: | 1.86332 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Filter93_acetyl_urea
Ketone
Hetero_hetero
SEL-UNI-c5c112eb-2
0.612
SEL-UNI-8426c22c-3
0.349
RHE-UNK-eb059eb9-1
0.348
WAR-XCH-79d12f6e-6
0.348
AAR-POS-0daf6b7e-3
0.348
MAR-TRE-6a44bbf2-13
0.348
SEL-UNI-8426c22c-2
0.330
MAR-TRE-6a44bbf2-65
0.326
TAT-ENA-80bfd3e5-43
0.326
MAK-UNK-7c9d1431-11
0.326
SAD-SAT-9a6c5cf3-7
0.320
AAR-POS-d2a4d1df-36
0.319
MAR-TRE-6a44bbf2-78
0.318
MAK-UNK-7c9d1431-13
0.318
SAD-SAT-2ceae68f-5
0.314
SEL-UNI-8426c22c-1
0.301
KEN-MCD-6084b33e-1
0.298
JAN-GHE-4287bd1a-1
0.293
SAD-SAT-2ceae68f-3
0.291
MAR-TRE-6a44bbf2-83
0.289
AHN-SAT-de2502ba-13
0.289
MAR-TRE-6a44bbf2-26
0.283
MAK-UNK-7c9d1431-8
0.283
AAR-POS-d2a4d1df-27
0.278
MAR-TRE-6a44bbf2-68
0.278
MAR-LAB-efb042c5-5
0.278
BEN-DND-7e92b6ca-8
0.277
MAT-POS-590ac91e-64
0.277
MAK-UNK-7c9d1431-30
0.276
MAR-TRE-6a44bbf2-45
0.276
SIM-SYN-3099a863-2
0.272
PEI-IMP-ca0b2813-3
0.265
MAK-UNK-7c9d1431-4
0.265
TAT-ENA-80bfd3e5-25
0.265
KAY-MCD-d0fe5261-1
0.264
DRR-IMP-dff87f5e-1
0.264
MAR-TRE-6a44bbf2-58
0.264
MAK-UNK-7c9d1431-22
0.260
DAN-MCD-5c762fbe-1
0.258
JAR-IMP-ed466bb3-19
0.258
MAR-TRE-3159af1a-36
0.257
MAK-UNK-6435e6c2-5
0.256
MAK-UNK-7c9d1431-17
0.255
BAP-BUY-55f8bcae-1
0.255
ABB-MCD-f8003a30-1
0.253
MAR-TRE-6a44bbf2-32
0.253
SAD-SAT-bc31ec01-4
0.253
MAT-POS-590ac91e-63
0.252
MAK-UNK-23561bf6-1
0.250
NAU-LAT-f723e322-5
0.250
SIM-SYN-3099a863-3
0.250
SAD-SAT-2fd372d1-3
0.250
MAT-POS-590ac91e-66
0.250
DRR-IMP-dff87f5e-7
0.250
MAR-TRE-3159af1a-19
0.248
MAR-TRE-3159af1a-42
0.248
MAK-UNK-7c9d1431-1
0.248
MAR-TRE-6a44bbf2-38
0.248
KAT-UNK-b2a0d5b1-1
0.247
JAY-UNK-11f5bdbd-1
0.247
SAD-SAT-b55127ae-5
0.247
MAK-UNK-7c9d1431-12
0.247
MAR-TRE-3159af1a-61
0.245
MAK-UNK-3f402c2b-17
0.245
MAK-UNK-7c9d1431-19
0.245
BEN-DND-03406596-8
0.245
AAR-POS-d2a4d1df-37
0.245
MAR-TRE-6a44bbf2-7
0.245
LON-WEI-8f408cad-4
0.245
MAR-TRE-6a44bbf2-18
0.245
BEN-DND-03406596-10
0.245
MAK-UNK-d4768348-7
0.245
AAR-POS-d2a4d1df-23
0.245
DRR-IMP-dff87f5e-5
0.242
MAR-TRE-6a44bbf2-8
0.242
AAR-POS-d2a4d1df-34
0.242
DRR-IMP-dff87f5e-9
0.242
JAR-IMP-ed466bb3-15
0.242
MAT-POS-b5746674-55
0.242
SAD-SAT-bc31ec01-9
0.242
MAT-POS-916a2c5a-3
0.241
KRI-MAR-d2e3ef86-4
0.241
MAR-TRE-3159af1a-35
0.241
MAK-UNK-7c9d1431-3
0.240
DRR-IMP-dff87f5e-2
0.240
MAK-UNK-7c9d1431-10
0.240
DRR-IMP-dff87f5e-3
0.239
AAR-POS-d2a4d1df-44
0.239
MAK-UNK-6435e6c2-11
0.239
MAK-UNK-6435e6c2-10
0.239
MAK-UNK-4c6b313a-1
0.239
MAR-TRE-3159af1a-67
0.239
MAK-UNK-7c9d1431-5
0.238
MAR-TRE-6a44bbf2-31
0.238
PEI-IMP-ca0b2813-2
0.237
MAK-UNK-d4768348-1
0.237
MAT-POS-ee51dedd-2
0.237
ALE-MCD-a1893bfb-1
0.236
MAK-UNK-3f402c2b-12
0.235
MAR-LAB-ff9967db-22
0.235