Molecular Properties | |
SMILES: | N#Cc1cnc2ncnn2c1N |
MW: | 160.05 |
Fraction sp3: | 0.0 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 0 |
TPSA: | 92.89 |
cLogP: | -0.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1686796538 |
MolPort: | MolPort-002-024-983 |
aniline
MAR-TRE-6c5ef77a-81
0.434
MAT-POS-b5746674-119
0.371
MAT-POS-b5746674-118
0.371
MAT-POS-b5746674-120
0.279
MAR-TRE-6c5ef77a-8
0.243
UNK-CYC-68f84b31-39
0.229
MAR-TRE-6c5ef77a-1
0.224
UNK-CYC-68f84b31-11
0.221
UNK-CYC-68f84b31-79
0.221
MAK-UNK-7732b35b-11
0.220
UNK-CYC-68f84b31-15
0.217
MAR-TRE-a3327163-33
0.216
UNK-CYC-68f84b31-26
0.214
UNK-CYC-68f84b31-54
0.214
UNK-CYC-68f84b31-58
0.214
UNK-CYC-68f84b31-44
0.213
UNK-CYC-68f84b31-14
0.213
UNK-CYC-68f84b31-8
0.213
MAK-UNK-7732b35b-12
0.213
MAR-TRE-0fda4e82-34
0.211
MAR-UNI-9d4da90d-6
0.211
UNK-CYC-68f84b31-12
0.209
MAR-TRE-0fda4e82-4
0.209
UNK-CYC-68f84b31-30
0.208
UNK-CYC-68f84b31-61
0.207
UNK-CYC-68f84b31-71
0.207
MAR-TRE-6c5ef77a-22
0.205
UNK-CYC-68f84b31-3
0.204
AAR-RCN-934be69e-1
0.204
MAK-UNK-ec98eaf6-16
0.202
MAR-TRE-0fda4e82-5
0.202
MAR-TRE-6c5ef77a-45
0.202
UNK-CYC-68f84b31-59
0.202
MAK-UNK-ed378e62-38
0.200
UNK-CYC-68f84b31-52
0.200
MAR-TRE-6c5ef77a-35
0.200
MAK-UNK-7732b35b-1
0.200
UNK-CYC-68f84b31-9
0.198
MAR-TRE-a3327163-46
0.198
MAR-TRE-6c5ef77a-72
0.197
MAR-TRE-6c5ef77a-73
0.197
UNK-CYC-68f84b31-10
0.196
MAR-TRE-0fda4e82-1
0.195
MAR-UNI-9d4da90d-2
0.194
UNK-CYC-68f84b31-47
0.194
MAR-TRE-3159af1a-83
0.194
MAR-TRE-6c5ef77a-76
0.194
UNK-CYC-68f84b31-48
0.194
GAB-FAC-0d239413-1
0.192
MAK-UNK-ed378e62-6
0.192
MAK-UNK-ed378e62-8
0.192
AAR-RCN-9c8a34f0-1
0.192
MAR-TRE-dab8f6ea-34
0.190
MAR-TRE-a3327163-37
0.190
JAN-UNI-2e92c4b1-4
0.189
MAK-UNK-ed378e62-3
0.189
UNK-CYC-68f84b31-27
0.188
UNK-CYC-68f84b31-6
0.188
MAK-UNK-7732b35b-13
0.186
UNK-CYC-68f84b31-28
0.186
UNK-CYC-68f84b31-29
0.186
BAR-COM-4e090d3a-14
0.184
AAR-POS-f650c5f2-2
0.184
MAK-UNK-ed378e62-43
0.183
GAB-REV-df64cf17-1
0.183
MAR-TRE-c317dd82-26
0.183
MAK-UNK-7732b35b-28
0.182
MAK-UNK-516d8086-2
0.181
MAR-TRE-0fda4e82-95
0.181
AAR-RCN-98de6bc7-1
0.180
AAR-RCN-ec065b93-1
0.180
MAK-UNK-ed378e62-2
0.180
MAK-UNK-ed378e62-4
0.180
ABI-SAT-aa268ad7-10
0.180
MAR-TRE-0fda4e82-30
0.179
MAK-UNK-7732b35b-32
0.179
MAR-TRE-a3327163-9
0.179
MAR-TRE-be9ff7d2-31
0.178
MAR-TRE-92684b97-60
0.178
MAK-UNK-9955b1f3-10
0.177
UNK-CYC-68f84b31-7
0.176
MAR-TRE-0fda4e82-71
0.176
MAR-TRE-92684b97-59
0.176
MAR-TRE-1c920f6f-38
0.176
GAB-REV-df64cf17-17
0.175
ABI-SAT-30e287c1-3
0.175
MAK-UNK-7732b35b-18
0.175
MAR-TRE-a3327163-24
0.175
MAK-UNK-ed378e62-11
0.175
JOH-UNI-522b0723-4
0.174
PET-SGC-9a4d8c0f-1
0.174
MAR-TRE-1c920f6f-63
0.174
MAR-TRE-14ce9fd6-20
0.173
PET-SGC-cb83a00c-1
0.173
MAR-TRE-8190bb11-1
0.173
MAR-TRE-8190bb11-60
0.173
MAR-TRE-a3327163-69
0.173
MED-COV-4280ac29-35
0.173
GAB-REV-df64cf17-9
0.173
MAK-UNK-ed378e62-5
0.172