Molecular Properties | |
SMILES: | c1cnc2nc(SCCC34CC5CC(CC(C5)C3)C4)nn2c1 |
MW: | 314.458 |
Fraction sp3: | 0.71 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 43.08 |
cLogP: | 3.8229 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z215364618 |
Mcule: | MCULE-6745089543 |
MolPort: | MolPort-009-430-445 |
adamantyl
ALE-HEI-f28a35b5-9
UNK-UNK-2ede4078-44
0.253
NJA-MAN-b9fb953f-8
0.200
MAR-TRE-0fda4e82-62
0.198
NJA-MAN-00c90aa2-16
0.186
NJA-MAN-00c90aa2-30
0.182
MAR-TRE-1c920f6f-46
0.180
MAR-TRE-6c5ef77a-49
0.180
MAR-TRE-36bf7dba-28
0.180
MAR-TRE-1c920f6f-7
0.178
NJA-MAN-00c90aa2-10
0.176
MAR-TRE-a3327163-66
0.176
MAR-TRE-dab8f6ea-7
0.174
NJA-MAN-00c90aa2-3
0.172
NJA-MAN-00c90aa2-15
0.172
NJA-MAN-b8640440-34
0.172
MAR-TRE-14ce9fd6-36
0.171
WIL-UNI-2a57d06c-33
0.170
MAR-TRE-0fda4e82-20
0.170
MAR-TRE-dab8f6ea-47
0.170
MAR-TRE-dab8f6ea-24
0.170
MAR-TRE-1c920f6f-5
0.170
JAN-GHE-d851b096-6
0.169
MAT-POS-b5746674-117
0.168
MAR-TRE-a3327163-34
0.168
NJA-MAN-b8640440-17
0.168
NJA-MAN-b8640440-27
0.168
NJA-MAN-b8640440-38
0.168
DAN-MCD-0fb4364c-1
0.167
MAR-TRE-b77b7921-26
0.167
MAR-TRE-4f781e27-1
0.167
MAR-TRE-a3327163-20
0.167
MAR-TRE-1c920f6f-4
0.165
MAR-TRE-c8530538-58
0.165
MAR-TRE-74c6519b-76
0.165
NJA-MAN-b8640440-6
0.165
NJA-MAN-00c90aa2-37
0.163
NJA-MAN-00c90aa2-39
0.163
MAT-POS-ea426761-87
0.163
EDJ-MED-6e43a462-4
0.163
MAR-TRE-14ce9fd6-29
0.163
MAR-TRE-3e4e6814-71
0.162
NJA-MAN-00c90aa2-60
0.162
MAR-TRE-f6f5f473-85
0.162
MAR-TRE-0fda4e82-38
0.162
MAR-TRE-0fda4e82-54
0.162
NJA-MAN-b8640440-16
0.162
MAR-TRE-6c5ef77a-14
0.162
MAR-TRE-d0525fbf-94
0.161
MAR-TRE-04c86cea-57
0.161
WIL-UNI-d4749f31-40
0.160
NJA-MAN-b8640440-7
0.160
NJA-MAN-b8640440-45
0.160
MAR-TRE-b77b7921-84
0.159
NJA-MAN-00c90aa2-55
0.159
MIK-MCD-8542a490-1
0.159
NJA-MAN-b8640440-49
0.158
NJA-MAN-b8640440-29
0.158
NJA-MAN-00c90aa2-64
0.157
MAR-TRE-04c86cea-11
0.157
MAR-TRE-b77b7921-5
0.157
MAR-TRE-b77b7921-7
0.157
NJA-MAN-b8640440-44
0.156
NJA-MAN-b8640440-46
0.156
DAN-MCD-f396e45b-1
0.156
DAN-MCD-9cdc9f7f-1
0.156
NJA-MAN-00c90aa2-25
0.155
MAK-UNK-ec98eaf6-1
0.155
NJA-MAN-b8640440-31
0.155
WAR-XCH-b72a1bbc-41
0.155
DAN-MCD-52f1549c-1
0.155
DAN-MCD-8aee1169-1
0.155
MAR-TRE-f6f5f473-70
0.155
NJA-MAN-00c90aa2-34
0.154
NJA-MAN-00c90aa2-42
0.154
MAR-TRE-9c797165-89
0.154
MAR-TRE-14ce9fd6-3
0.154
MAR-TRE-d0525fbf-88
0.153
MAR-TRE-3e4e6814-21
0.153
MAR-TRE-74c6519b-93
0.153
MAR-TRE-b77b7921-98
0.153
NJA-MAN-b8640440-42
0.153
NJA-MAN-00c90aa2-32
0.153
MAT-POS-ea426761-56
0.153
NJA-MAN-b9fb953f-6
0.153
NJA-MAN-b8640440-5
0.153
MAR-TRE-74c6519b-88
0.153
NJA-MAN-00c90aa2-40
0.152
NJA-MAN-00c90aa2-26
0.152
NJA-MAN-00c90aa2-6
0.152
MAT-POS-ea426761-89
0.152
NJA-MAN-b8640440-52
0.152
MAR-TRE-aca67d11-24
0.152
MAR-TRE-1c920f6f-75
0.152
MAK-UNK-10799360-29
0.152
MAR-TRE-04c86cea-56
0.152
NJA-MAN-b8640440-15
0.152
MAR-TRE-04c86cea-82
0.152
NJA-MAN-b8640440-12
0.152
BAR-COM-4e090d3a-9
0.151
JON-UIO-066ce08b-2
0.151