Molecular Properties | |
SMILES: | NC(=O)C(=O)N1CCCC(N(CC2CCCCC2)C2CCC(O)CC2)C1 |
MW: | 365.518 |
Fraction sp3: | 0.9 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 86.87 |
cLogP: | 1.6485 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
alpha_dicarbonyl
diketo group
α-Diketones
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
Oxalyl
WAR-XCH-72a8c209-9
0.681
WAR-XCH-72a8c209-5
0.681
WAR-XCH-72a8c209-13
0.544
MAK-UNK-5d2caa6f-8
0.384
WAR-XCH-72a8c209-11
0.319
JOH-IMS-cc7b4c67-3
0.230
WAR-XCH-bdd24732-29
0.224
WAR-XCH-bdd24732-32
0.224
WAR-XCH-72a8c209-6
0.224
JOH-IMS-cc7b4c67-7
0.224
WAR-XCH-72a8c209-10
0.222
SAD-SAT-d8079f6f-9
0.222
SAD-SAT-65574d3f-6
0.221
WAR-XCH-bdd24732-1
0.220
MAK-UNK-6c8f5f75-2
0.218
MAT-POS-ea426761-43
0.214
WAR-XCH-72a8c209-14
0.212
GIA-UNK-20b63697-6
0.211
WAR-XCH-bdd24732-46
0.210
MAT-POS-ea426761-98
0.210
SAD-SAT-89668ff1-6
0.208
WAR-XCH-bdd24732-27
0.202
WAR-XCH-bdd24732-37
0.198
MAK-UNK-f2409524-28
0.196
DUN-NEW-f8ce3686-18
0.196
DAN-MCD-93e7aadc-1
0.196
MAK-UNK-1cb0e944-9
0.196
NIM-UNI-310206f0-29
0.196
ALE-HEI-f28a35b5-9
0.195
AAR-POS-d2a4d1df-13
0.195
FRA-FAC-9ed5a63a-1
0.195
GIA-UNK-3f36037a-1
0.195
MAK-UNK-bae89c02-2
0.194
WAR-XCH-bdd24732-36
0.194
ALP-POS-e980f4ea-45
0.194
WAR-XCH-b6889685-55
0.193
MAT-POS-ea426761-32
0.192
WAR-XCH-bdd24732-40
0.191
WAR-XCH-b0339bbe-6
0.191
MIC-UNK-bcd487e9-2
0.191
WAR-XCH-bdd24732-28
0.190
JAR-IMP-ed466bb3-20
0.190
SID-ELM-8b394441-18
0.189
MAR-TRE-4b834d9a-88
0.188
JOR-UNI-61e7b1d5-21
0.188
WAR-XCH-bdd24732-2
0.188
DUN-NEW-f8ce3686-3
0.188
WAR-XCH-bdd24732-6
0.188
MAK-UNK-750cfbcc-5
0.188
JOR-UNI-61e7b1d5-20
0.187
TRY-UNI-714a760b-1
0.187
SID-ELM-b654bfa2-21
0.187
MAR-TRE-6a44bbf2-66
0.186
MAK-UNK-750cfbcc-4
0.186
MAK-UNK-acefcb18-16
0.186
SID-ELM-2583a2cd-18
0.186
MAR-TRE-b77b7921-16
0.185
SID-ELM-2583a2cd-15
0.185
SID-ELM-8b394441-16
0.185
GIA-UNK-d2defdc3-8
0.185
NIC-UNK-21c5e845-4
0.184
SID-ELM-b654bfa2-11
0.184
MAK-UNK-c749d764-15
0.183
BRU-LEF-cf996d6c-1
0.183
DRR-IMP-11d47bff-1
0.183
WAR-XCH-b6889685-43
0.183
WAR-XCH-b72a1bbc-48
0.182
MAK-UNK-704ed37c-14
0.182
WAR-XCH-bdd24732-42
0.182
SID-ELM-b654bfa2-16
0.182
FRA-LAB-04e32718-1
0.181
NAU-LAT-81109c57-4
0.181
SID-ELM-b654bfa2-8
0.181
GIA-UNK-4de5abb1-3
0.181
NJA-MAN-b9fb953f-4
0.180
MAK-UNK-01147c51-7
0.180
SID-ELM-2583a2cd-16
0.180
WAR-XCH-b72a1bbc-49
0.180
MAT-POS-ea426761-61
0.179
DUN-NEW-f8ce3686-17
0.179
CHA-KIN-f512e507-1
0.179
WAR-XCH-bdd24732-39
0.179
SID-ELM-8b394441-17
0.179
WAR-XCH-72a8c209-7
0.179
SID-ELM-b654bfa2-9
0.179
CLI-UNI-032f7715-3
0.179
GIA-UNK-d2defdc3-3
0.179
MAR-TRE-b77b7921-22
0.179
SID-ELM-b654bfa2-10
0.178
MAK-UNK-1cb0e944-10
0.178
MAR-TRE-74c6519b-81
0.178
MAR-TRE-4b834d9a-86
0.178
SAD-SAT-edc8a235-1
0.178
EDG-MED-0da5ad92-4
0.178
ALE-HEI-f28a35b5-6
0.178
MAK-UNK-acefcb18-17
0.178
MAK-UNK-e4a48a85-13
0.178
TRY-UNI-714a760b-10
0.178
DUN-NEW-f8ce3686-15
0.178
WAR-XCH-b0339bbe-21
0.178