Molecular Properties | |
SMILES: | O=C(Cc1cncnc1)NCN1CCNCC1 |
MW: | 235.14 |
Fraction sp3: | 0.55 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 70.15 |
cLogP: | -1.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
acyclic N-C-N
AAR-POS-0daf6b7e-27
MAK-UNK-748f8b7a-1
0.564
MAK-UNK-748f8b7a-4
0.444
MAK-UNK-748f8b7a-13
0.443
MAK-UNK-748f8b7a-15
0.433
WIL-LEE-23e8b574-6
0.410
MAK-UNK-748f8b7a-7
0.406
JOH-IMS-4b4cc7e6-3
0.400
MAK-UNK-748f8b7a-11
0.393
MAK-UNK-748f8b7a-14
0.383
MAK-UNK-748f8b7a-16
0.365
MAK-UNK-748f8b7a-12
0.344
SAD-SAT-24589cd1-2
0.342
SAD-SAT-24589cd1-4
0.338
MAK-UNK-748f8b7a-3
0.338
MAK-UNK-748f8b7a-10
0.324
SAD-SAT-24589cd1-7
0.319
MAK-UNK-748f8b7a-8
0.313
MAR-TRE-be9ff7d2-44
0.311
RAL-MED-2de63afb-12
0.307
ADA-UCB-b1b30a00-3
0.305
MAK-UNK-748f8b7a-2
0.304
RAL-MED-2de63afb-14
0.296
MAR-TRE-be9ff7d2-94
0.296
MAR-TRE-e82e6c98-47
0.292
RAL-MED-2de63afb-7
0.291
MAK-UNK-be5ffcbc-1
0.289
TRY-UNI-bbd40bb4-1
0.289
BAR-COM-4e090d3a-39
0.284
RAL-MED-2de63afb-3
0.284
MAR-TRE-d3c2bf0e-21
0.281
MAK-UNK-b1917cc8-3
0.281
RAL-MED-2de63afb-13
0.280
RAL-MED-2de63afb-8
0.280
JOH-IMS-4b4cc7e6-2
0.280
JOH-IMS-4b4cc7e6-1
0.280
MAR-TRE-c317dd82-6
0.278
RAL-MED-2de63afb-2
0.277
BAR-COM-4e090d3a-11
0.275
MAR-TRE-8190bb11-7
0.275
MAK-UNK-748f8b7a-6
0.275
MAR-TRE-4f781e27-85
0.274
MAK-UNK-be5ffcbc-2
0.274
MAR-TRE-799db12b-52
0.272
MAR-TRE-c317dd82-81
0.272
MAR-TRE-e82e6c98-98
0.272
MAR-TRE-c317dd82-2
0.271
MAR-TRE-6a44bbf2-47
0.270
MAR-TRE-4f781e27-12
0.270
BEN-DND-93268d01-10
0.270
BEN-DND-6de5dfa0-24
0.270
MAR-TRE-66ac689e-26
0.269
JAN-GHE-5a013bed-9
0.268
BEN-DND-6de5dfa0-18
0.267
MAR-TRE-c317dd82-7
0.265
MAR-TRE-4f781e27-49
0.264
DRA-CSI-47e38074-1
0.262
MAR-TRE-c317dd82-69
0.262
MAR-TRE-85681e92-61
0.262
MAR-TRE-6a44bbf2-12
0.260
MAR-TRE-e82e6c98-22
0.260
MAR-TRE-e82e6c98-75
0.260
AGN-NEW-051944a9-3
0.260
MAR-TRE-66ac689e-21
0.259
MAR-TRE-799db12b-89
0.259
MAR-TRE-e82e6c98-52
0.259
AND-WAB-bfd3647f-2
0.258
AGN-NEW-051944a9-1
0.257
MAR-TRE-4f781e27-41
0.257
MAR-TRE-c317dd82-96
0.257
MAR-TRE-c317dd82-91
0.256
MAR-TRE-66ac689e-34
0.256
MAR-TRE-a9136c7b-89
0.256
MAR-TRE-4f781e27-65
0.256
MAR-TRE-e82e6c98-5
0.256
MAR-TRE-be9ff7d2-92
0.256
JOR-UNI-2fc98d0b-4
0.256
JOH-IMS-62aeb97d-4
0.254
MAR-TRE-92684b97-78
0.254
BEN-DND-6de5dfa0-26
0.253
MAR-TRE-e82e6c98-26
0.253
MAR-TRE-e82e6c98-80
0.253
BEN-DND-09b88bf4-2
0.253
BEN-DND-03406596-7
0.253
BEN-DND-6de5dfa0-1
0.253
BEN-DND-6de5dfa0-4
0.253
BEN-DND-09b88bf4-4
0.253
MAR-TRE-a9136c7b-44
0.253
MAR-TRE-a9136c7b-100
0.253
MAR-TRE-a9136c7b-11
0.253
MAR-TRE-c317dd82-93
0.250
NIR-THE-b7e8e081-2
0.250
MAR-TRE-66ac689e-47
0.250
MAR-TRE-8190bb11-64
0.250
MAR-TRE-799db12b-72
0.250
MAR-TRE-c317dd82-33
0.250
MAR-TRE-c317dd82-40
0.250
MAR-TRE-be9ff7d2-25
0.250
JOR-UNI-2fc98d0b-10
0.250
MAR-TRE-be9ff7d2-71
0.250
MAR-TRE-66ac689e-83
0.250