Molecular Properties | |
SMILES: | CC(=O)c1cnc(N2CCC(C(=O)N3CCOCC3)CC2)nc1C |
MW: | 332.18 |
Fraction sp3: | 0.65 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 75.63 |
cLogP: | 1.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2696844917 |
MolPort: | MolPort-046-576-073 |
Ketone
GIA-UNK-30c7cb75-2
0.478
MAR-TRE-dab8f6ea-13
0.457
MAR-TRE-dab8f6ea-39
0.405
MAR-TRE-dab8f6ea-45
0.402
MAR-TRE-dab8f6ea-27
0.389
GIA-UNK-eaadd1d4-3
0.377
MAR-TRE-dab8f6ea-12
0.368
MAR-TRE-dab8f6ea-30
0.354
MAR-TRE-dab8f6ea-25
0.333
GIA-UNK-30c7cb75-5
0.333
GIA-UNK-30c7cb75-1
0.316
MAR-TRE-dab8f6ea-11
0.313
GIA-UNK-30c7cb75-3
0.308
MAR-TRE-dab8f6ea-19
0.302
MAR-TRE-dab8f6ea-14
0.300
MAR-TRE-dab8f6ea-47
0.297
GIA-UNK-d2defdc3-6
0.293
GIA-UNK-eaadd1d4-1
0.287
MAR-TRE-dab8f6ea-8
0.284
MAR-TRE-dab8f6ea-7
0.277
MAT-POS-ea426761-91
0.270
MAT-POS-b5746674-14
0.263
MAK-UNK-704ed37c-3
0.260
SAD-SAT-9a6c5cf3-1
0.260
MAR-TRE-dab8f6ea-33
0.257
MAR-TRE-be9ff7d2-16
0.256
GIA-UNK-d2defdc3-5
0.256
MAR-TRE-dab8f6ea-31
0.255
AAR-POS-fca48359-5
0.253
DAN-MCD-3ec20f87-1
0.253
SAD-SAT-b55127ae-3
0.247
MAR-TRE-dab8f6ea-41
0.247
MAR-TRE-dab8f6ea-29
0.247
MAR-TRE-dab8f6ea-26
0.245
MAR-TRE-dab8f6ea-37
0.245
MAR-TRE-8190bb11-7
0.242
SAD-SAT-b55127ae-7
0.239
MAR-TRE-c317dd82-96
0.238
MAR-TRE-dab8f6ea-20
0.238
JON-CHE-41f76505-2
0.237
MAK-UNK-f983951f-6
0.235
BRU-LEF-cf996d6c-1
0.234
MAR-TRE-dab8f6ea-42
0.234
MAR-TRE-dab8f6ea-16
0.233
JOH-UNI-522b0723-10
0.232
MAR-TRE-3724962b-15
0.232
MAR-TRE-9c797165-58
0.231
MAR-TRE-6c5ef77a-38
0.231
GIA-UNK-3f36037a-1
0.231
JOH-UNI-abdb2f0c-3
0.230
PET-SGC-cb83a00c-1
0.230
MAK-UNK-750cfbcc-3
0.230
MAR-TRE-6a44bbf2-79
0.230
MAR-TRE-2fd8122f-89
0.229
MAK-UNK-704ed37c-4
0.228
MAR-TRE-f5c2d31c-53
0.228
JAR-IMP-ed466bb3-20
0.227
MAK-UNK-704ed37c-7
0.225
DAV-IMP-59dd6621-13
0.225
SAD-SAT-9a6c5cf3-2
0.224
MAK-UNK-f983951f-21
0.224
MAK-UNK-750cfbcc-5
0.224
VIR-GIT-7b3d3065-2
0.224
AAR-POS-0daf6b7e-9
0.224
MAR-TRE-dab8f6ea-10
0.223
SAD-SAT-9a6c5cf3-4
0.222
SAD-SAT-9a6c5cf3-7
0.222
MAR-TRE-7f7bb9f0-29
0.222
WIL-LEE-23e8b574-8
0.222
LON-WEI-1908424e-3
0.222
SAD-SAT-f2e2579e-7
0.221
MAR-TRE-2fd8122f-55
0.221
MAR-TRE-4b834d9a-64
0.220
GIA-UNK-3f36037a-2
0.220
MAR-TRE-9c797165-69
0.218
MAR-TRE-6c5ef77a-49
0.218
MAR-TRE-7f7bb9f0-80
0.218
MAR-TRE-f5c2d31c-96
0.218
JOH-UNI-522b0723-12
0.218
IAN-BAS-647c7407-1
0.217
GIA-UNK-5ec6c2b8-2
0.216
MAK-UNK-c97f7c8f-1
0.216
MAR-TRE-67513f76-86
0.216
MAR-TRE-dab8f6ea-18
0.216
MAT-POS-b5746674-15
0.216
ALP-POS-0c0a3b93-1
0.215
JON-CHE-41f76505-1
0.214
SAD-SAT-f25ee457-9
0.214
GIA-UNK-30c7cb75-6
0.213
ALP-POS-d0876c20-12
0.213
ALP-POS-84f19ead-2
0.213
MAR-TRE-67513f76-80
0.213
MAR-TRE-66ac689e-61
0.213
RAF-POL-b61b4b25-1
0.212
WIL-UNI-2a57d06c-10
0.212
SAD-SAT-2ceae68f-4
0.212
MAR-TRE-f5c2d31c-23
0.212
MAR-TRE-f5c2d31c-64
0.212
AAR-POS-fca48359-4
0.212
AGN-NEW-c197b967-1
0.212