Molecular Properties | |
SMILES: | N#Cc1ncc(-c2cncnc2)cn1 |
MW: | 183.05 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 75.35 |
cLogP: | 0.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | s_271570____10128390____13837796 |
Enamine Extended REAL: | s_271570____10128390____13837796 |
AAR-POS-0daf6b7e-21
MAK-UNK-ed378e62-41
0.452
MAK-UNK-ed378e62-40
0.452
MAK-UNK-ed378e62-39
0.442
MAK-UNK-ed378e62-27
0.442
MAK-UNK-ed378e62-42
0.442
MAK-UNK-ed378e62-43
0.432
AAR-RCN-ec065b93-1
0.417
AAR-RCN-934be69e-1
0.417
MAK-UNK-ed378e62-4
0.417
MAK-UNK-ed378e62-8
0.385
MAK-UNK-ed378e62-2
0.378
AAR-RCN-98de6bc7-1
0.378
MAK-UNK-ed378e62-26
0.378
MAK-UNK-ed378e62-6
0.350
MAK-UNK-ed378e62-10
0.350
AAR-RCN-9c8a34f0-1
0.350
MAK-UNK-72659d64-3
0.306
AAR-POS-f650c5f2-3
0.306
MAK-UNK-72659d64-7
0.300
MAK-UNK-72659d64-2
0.288
AAR-RCN-67438d21-1
0.286
MAK-UNK-72659d64-6
0.278
ABI-SAT-aa268ad7-10
0.275
MAK-UNK-ed378e62-33
0.275
MAK-UNK-849bee6c-7
0.271
MAK-UNK-ed378e62-29
0.269
MAK-UNK-ed378e62-35
0.269
MAK-UNK-ed378e62-31
0.269
MAK-UNK-ed378e62-34
0.269
MAK-UNK-ed378e62-28
0.264
MAK-UNK-ed378e62-32
0.264
MAK-UNK-ed378e62-30
0.264
MAK-UNK-ed378e62-37
0.264
AAR-POS-d2a4d1df-18
0.257
MAK-UNK-ed378e62-36
0.255
MAK-UNK-ed378e62-3
0.250
MAK-UNK-7732b35b-12
0.245
MAK-UNK-ed378e62-11
0.245
MAK-UNK-7732b35b-1
0.238
MAR-TRE-85681e92-75
0.236
NIM-UNI-310206f0-3
0.231
JOH-IMS-4b4cc7e6-2
0.231
JOH-IMS-4b4cc7e6-1
0.231
MAK-UNK-72659d64-11
0.230
MAK-UNK-ed378e62-9
0.229
MAR-TRE-85681e92-35
0.228
AAR-RCN-37d0aa00-1
0.227
MAK-UNK-ed378e62-15
0.224
MAR-TRE-92684b97-21
0.222
MAK-UNK-ed378e62-1
0.222
MAK-UNK-72659d64-9
0.220
AAR-POS-f650c5f2-2
0.220
MAK-UNK-72659d64-15
0.219
MAK-UNK-ed378e62-18
0.218
MAK-UNK-849bee6c-9
0.216
MAK-UNK-7732b35b-13
0.216
MAR-TRE-9d18ae8c-87
0.215
AAR-RCN-8752a6eb-1
0.214
MAR-TRE-85681e92-52
0.213
MAR-TRE-a9136c7b-43
0.212
MAR-TRE-8190bb11-1
0.212
MAK-UNK-ed378e62-14
0.211
MAK-UNK-72659d64-18
0.211
MAK-UNK-72659d64-13
0.210
MAK-UNK-ca11b4f7-4
0.209
MAR-TRE-c317dd82-28
0.209
MAK-UNK-7732b35b-11
0.208
TRY-UNI-69298daf-4
0.207
MAK-UNK-ed378e62-16
0.207
MAK-UNK-ed378e62-12
0.207
MAK-UNK-ed378e62-13
0.207
MAR-TRE-e82e6c98-43
0.206
MAR-TRE-4f781e27-70
0.206
MAR-TRE-92684b97-63
0.206
MAR-TRE-8190bb11-15
0.206
MAK-UNK-72659d64-5
0.203
MAR-TRE-799db12b-91
0.203
MAR-TRE-8190bb11-44
0.200
MAR-TRE-be9ff7d2-31
0.200
ABI-SAT-95eab675-2
0.200
MAK-UNK-ed378e62-7
0.200
MAK-UNK-ed378e62-21
0.200
MAR-TRE-92684b97-60
0.200
AAR-RCN-748c104b-1
0.200
MAR-TRE-6c5ef77a-95
0.200
MAK-UNK-7732b35b-18
0.200
MAR-UNI-9d4da90d-2
0.200
JOH-IMS-4b4cc7e6-3
0.200
MAR-TRE-a9136c7b-39
0.200
MAK-UNK-ed378e62-5
0.200
TRY-UNI-bbd40bb4-1
0.197
MAR-TRE-92684b97-59
0.197
MAK-UNK-ed378e62-17
0.196
AAR-POS-d2a4d1df-5
0.196
MAR-TRE-be9ff7d2-3
0.194
MAR-TRE-8190bb11-60
0.194
MAR-TRE-92684b97-9
0.194
NAU-LAT-b0463c38-7
0.194
MAK-UNK-7732b35b-24
0.193
MAK-UNK-72659d64-1
0.193