Molecular Properties | |
SMILES: | O=C(C1CCCN1Cc1cnc(C2CCCCC2)nc1)N1CCOCC1 |
MW: | 358.24 |
Fraction sp3: | 0.75 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 58.56 |
cLogP: | 2.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9172385034 |
GIA-UNK-d2defdc3-6
0.366
MAR-TRE-dab8f6ea-47
0.305
MAR-TRE-dab8f6ea-39
0.292
GIA-UNK-3f36037a-1
0.291
DAN-MCD-3ec20f87-1
0.289
MAR-TRE-dab8f6ea-19
0.284
GIA-UNK-30c7cb75-5
0.281
MAR-TRE-dab8f6ea-26
0.280
MAR-TRE-dab8f6ea-45
0.274
MAR-TRE-dab8f6ea-41
0.271
GIA-UNK-30c7cb75-2
0.271
MAR-TRE-dab8f6ea-37
0.268
MAR-TRE-dab8f6ea-14
0.268
MAR-TRE-dab8f6ea-11
0.259
MAR-TRE-dab8f6ea-40
0.255
MAR-TRE-dab8f6ea-33
0.255
GIA-UNK-d2defdc3-5
0.253
MAR-TRE-dab8f6ea-25
0.252
MAR-TRE-dab8f6ea-7
0.250
MAR-TRE-dab8f6ea-12
0.248
MAR-TRE-dab8f6ea-8
0.245
MAR-TRE-dab8f6ea-30
0.245
GIA-UNK-eaadd1d4-3
0.244
JOH-UNI-abdb2f0c-3
0.242
PET-SGC-cb83a00c-1
0.242
MAR-TRE-dab8f6ea-13
0.240
MAR-TRE-c317dd82-18
0.239
MAR-TRE-be9ff7d2-16
0.239
MAR-TRE-dab8f6ea-27
0.236
LYN-UNI-b265e4fd-4
0.235
MAR-TRE-6a44bbf2-67
0.233
MAR-TRE-7f7bb9f0-29
0.233
MAR-SOS-c7881798-11
0.232
MAR-SOS-82e3a7c7-10
0.232
MAR-TRE-dab8f6ea-42
0.232
SCO-CSI-e56d7cb6-1
0.231
MAR-TRE-c317dd82-13
0.228
MAR-TRE-8190bb11-7
0.227
RAF-POL-b61b4b25-1
0.226
GIA-UNK-3f36037a-6
0.225
MAR-TRE-f5c2d31c-64
0.223
NIC-UNI-f08e2453-2
0.223
MAR-TRE-c317dd82-96
0.222
MAK-UNK-f983951f-21
0.222
MAR-TRE-92684b97-36
0.222
LYN-UNI-0d9431a4-3
0.222
YOI-UNK-4c10088f-1
0.222
AAR-UNI-c25c2f1e-96
0.220
MAR-TRE-c317dd82-7
0.220
LYN-UNI-c2dd631d-5
0.220
GIA-UNK-3f36037a-2
0.218
MAR-TRE-dab8f6ea-29
0.217
MAK-UNK-b1d4dcd7-9
0.216
MAR-TRE-dab8f6ea-18
0.215
MAR-SOS-82e3a7c7-9
0.215
MAK-UNK-b1d4dcd7-5
0.215
MAR-SOS-c7881798-9
0.215
MAR-TRE-f5c2d31c-53
0.215
MAK-UNK-748f8b7a-11
0.214
JOO-IND-b13e14cc-1
0.214
KEI-TRE-fa9ada3e-9
0.213
MAR-TRE-dab8f6ea-20
0.213
MAR-TRE-66ac689e-61
0.212
MAR-TRE-c317dd82-81
0.212
SCO-CSI-e30c12ee-1
0.212
AAR-POS-0daf6b7e-26
0.212
MAK-UNK-6435e6c2-9
0.212
MAR-TRE-87acfbcc-18
0.212
NIM-UNI-534877e5-3
0.211
AAR-POS-d2a4d1df-21
0.211
PAT-GYR-359dbb24-1
0.211
DAR-DIA-03336633-10
0.211
IFT-SAT-023cfffe-2
0.211
MAR-TRE-dab8f6ea-5
0.211
MAR-TRE-9c797165-83
0.211
MAR-TRE-7f7bb9f0-65
0.210
NIM-UNI-7f77122c-2
0.209
MAR-TRE-dab8f6ea-16
0.209
DAR-DIA-fb20be43-18
0.209
NIM-UNI-534877e5-2
0.208
PAT-GYR-de8eec61-4
0.208
ALP-POS-ced8ea4d-63
0.208
JOH-ILL-da934517-1
0.208
ROM-UNK-ef52a3c9-3
0.208
MAK-UNK-10799360-19
0.207
BEN-DND-93268d01-10
0.207
PAT-GYR-359dbb24-2
0.207
NAU-LAT-64f4b287-10
0.206
MAR-TRE-e82e6c98-34
0.206
MAR-TRE-7f7bb9f0-80
0.206
MAK-UNK-f2409524-7
0.206
MAK-UNK-987948f6-1
0.205
MAR-SOS-82e3a7c7-8
0.205
MAR-SOS-c7881798-5
0.205
MAR-TRE-87acfbcc-100
0.205
IND-SYN-6c8299e8-1
0.204
MAR-TRE-9c797165-58
0.204
SAD-SAT-f25ee457-4
0.204
MAR-TRE-04c86cea-8
0.204
PAT-GYR-359dbb24-4
0.202