Molecular Properties | |
SMILES: | O=C(C1CNCC(C(=O)N2CCN(c3ncccn3)CC2)C1)N1CCOCC1 |
MW: | 388.22 |
Fraction sp3: | 0.68 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 90.9 |
cLogP: | -0.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9222955848 |
MAR-TRE-dab8f6ea-14
0.506
MAR-TRE-dab8f6ea-7
0.471
VIK-SYN-bf9c9ac8-7
0.409
VIK-SYN-9a3d118a-4
0.409
MAR-TRE-6a44bbf2-87
0.409
MAT-POS-b5746674-15
0.398
MAR-TRE-dab8f6ea-25
0.366
GIA-UNK-30c7cb75-2
0.365
MAR-TRE-dab8f6ea-47
0.360
GIA-UNK-30c7cb75-5
0.354
MAR-TRE-dab8f6ea-40
0.354
MAR-TRE-dab8f6ea-45
0.341
MAR-TRE-dab8f6ea-44
0.341
MAR-TRE-dab8f6ea-12
0.330
MAR-TRE-799db12b-17
0.330
MAR-TRE-dab8f6ea-49
0.319
RED-RED-10c9212c-41
0.319
MAR-TRE-dab8f6ea-15
0.319
MAR-TRE-dab8f6ea-13
0.315
GIA-UNK-eaadd1d4-3
0.312
MAR-TRE-dab8f6ea-36
0.303
MAR-TRE-dab8f6ea-39
0.300
MAR-TRE-dab8f6ea-19
0.292
MAR-TRE-dab8f6ea-8
0.287
MAR-TRE-dab8f6ea-27
0.278
MAR-TRE-dab8f6ea-10
0.276
GIA-UNK-d2defdc3-6
0.265
ROD-UFR-7c6582a7-1
0.261
MAR-TRE-3159af1a-61
0.260
GIA-UNK-eaadd1d4-1
0.259
WIL-LEE-23e8b574-8
0.253
MAR-TRE-dab8f6ea-11
0.252
SAD-SAT-9a6c5cf3-1
0.250
MAR-TRE-dab8f6ea-29
0.250
PET-SGC-cb83a00c-1
0.247
MAR-TRE-dab8f6ea-31
0.245
GIA-UNK-d2defdc3-5
0.244
MAR-TRE-be9ff7d2-16
0.244
PAT-GYR-359dbb24-1
0.244
DAN-MCD-3ec20f87-1
0.242
MAR-TRE-66ac689e-61
0.242
MAR-TRE-c317dd82-96
0.241
MAT-POS-b5746674-14
0.240
ALP-POS-84f19ead-2
0.238
GIA-UNK-3f36037a-2
0.237
MAR-TRE-3159af1a-90
0.237
MAR-TRE-7f7bb9f0-65
0.237
MAR-TRE-7f7bb9f0-29
0.237
MAR-TRE-dab8f6ea-26
0.235
MAR-TRE-dab8f6ea-37
0.234
MAK-UNK-748f8b7a-11
0.234
GIA-UNK-3f36037a-1
0.234
NIM-UNI-310206f0-5
0.233
MAR-TRE-3159af1a-32
0.233
MAR-TRE-7f7bb9f0-80
0.232
MAR-TRE-2fd8122f-89
0.232
RAF-POL-b61b4b25-1
0.231
MAR-TRE-8190bb11-7
0.231
DAR-DIA-caba39e3-12
0.230
RAF-POL-950dada1-16
0.230
DAV-IMP-59dd6621-17
0.230
MAR-TRE-9c797165-11
0.229
MAR-TRE-7f7bb9f0-69
0.229
GIA-UNK-3f36037a-6
0.229
AAR-POS-d2a4d1df-21
0.229
SAD-SAT-5b1897b2-3
0.228
MAK-UNK-f983951f-21
0.227
MAR-TRE-f5c2d31c-64
0.227
SIM-DEM-2843056b-1
0.225
MAR-TRE-dab8f6ea-22
0.225
ALP-POS-d0876c20-12
0.225
PAT-GYR-de8eec61-4
0.225
MAR-TRE-dab8f6ea-42
0.224
MAR-TRE-6a44bbf2-67
0.224
PAT-GYR-359dbb24-2
0.224
GIA-UNK-30c7cb75-4
0.224
MAR-TRE-c317dd82-7
0.223
MAR-TRE-dab8f6ea-41
0.223
EMM-WAB-00d33046-1
0.223
RAL-THA-9041a04d-6
0.223
MAR-TRE-f5c2d31c-74
0.223
GIA-UNK-30c7cb75-1
0.222
DAR-DIA-caba39e3-13
0.221
MAK-UNK-f983951f-6
0.221
BAR-COM-4e090d3a-58
0.219
LUI-IND-a1be81af-2
0.219
MAR-TRE-e82e6c98-83
0.218
NIM-UNI-310206f0-7
0.218
PAT-GYR-359dbb24-4
0.218
MAR-TRE-f5c2d31c-53
0.218
MAR-TRE-f5c2d31c-38
0.218
ALP-POS-0c0a3b93-1
0.217
GIA-UNK-30c7cb75-3
0.217
GIA-UNK-30c7cb75-6
0.216
MAR-TRE-67513f76-19
0.216
MAR-TRE-f5c2d31c-57
0.216
MAR-TRE-c317dd82-81
0.215
SAD-SAT-b55127ae-7
0.215
MAR-TRE-9c797165-64
0.215
MAR-TRE-c8530538-2
0.215