Molecular Properties | |
SMILES: | O=C(Nc1c(Cc2cncnc2)nc2cnccn12)NC1CCCCC1 |
MW: | 351.414 |
Fraction sp3: | 0.39 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 97.1 |
cLogP: | 2.5643 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-f2409524-7
0.398
MAK-UNK-f2409524-3
0.362
ALE-HEI-f28a35b5-8
0.353
TRY-UNI-714a760b-7
0.352
ALE-HEI-f28a35b5-7
0.345
TRY-UNI-714a760b-11
0.345
MAK-UNK-f2409524-14
0.320
AAR-POS-d2a4d1df-12
0.315
CES-WAB-18e74d70-1
0.313
PET-SGC-c429dc17-1
0.313
MAK-UNK-f2409524-15
0.311
MAK-UNK-f2409524-4
0.311
MAK-UNK-f2409524-33
0.308
MAK-UNK-f2409524-5
0.303
MAK-UNK-f2409524-37
0.300
DAR-DIA-03336633-5
0.299
MAK-UNK-f2409524-18
0.298
DAR-DIA-03336633-7
0.294
MAK-UNK-748f8b7a-7
0.292
DAR-DIA-03336633-6
0.292
LON-WEI-af038623-1
0.291
MAK-UNK-f2409524-34
0.289
DAR-DIA-03336633-13
0.287
DAR-DIA-03336633-12
0.286
MAK-UNK-f2409524-16
0.286
HAN-NEW-5f56c3bc-3
0.284
DAR-DIA-03336633-1
0.284
MAK-UNK-f2409524-13
0.284
SID-ELM-b654bfa2-13
0.283
MAK-UNK-f2409524-19
0.282
MAK-UNK-f2409524-27
0.279
SID-ELM-8b394441-23
0.277
DAR-DIA-03336633-2
0.275
MAK-UNK-f2409524-31
0.275
MAK-UNK-f2409524-32
0.274
CHA-KIN-ceadbd93-3
0.274
MAK-UNK-f2409524-2
0.274
MAK-UNK-f2409524-28
0.273
SID-ELM-2583a2cd-2
0.273
NIC-UNI-f08e2453-2
0.272
MAR-TRE-0fda4e82-2
0.272
MAR-TRE-799db12b-51
0.269
MAK-UNK-f2409524-20
0.267
DAR-DIA-03336633-3
0.267
AAR-UNI-c25c2f1e-3
0.265
MAR-TRE-04c86cea-8
0.263
MAK-UNK-748f8b7a-15
0.261
DAR-DIA-03336633-4
0.261
NAU-LAT-3f5f3993-2
0.260
PET-SGC-f913cec9-1
0.258
MAR-TRE-f6f5f473-70
0.257
MAK-UNK-009ebe36-10
0.252
MAR-TRE-f6f5f473-89
0.252
PET-SGC-f913cec9-2
0.252
AAR-UNI-c25c2f1e-96
0.250
MAR-TRE-b77b7921-35
0.250
MAK-UNK-f2409524-17
0.248
DOU-UNK-b5326f8f-3
0.248
MAR-TRE-14ce9fd6-1
0.248
MAK-UNK-f2409524-36
0.246
LON-WEI-4d77710c-27
0.245
LON-WEI-5e7d1b3e-27
0.245
ZAC-WAB-b0242612-1
0.244
MAT-POS-ea426761-47
0.243
MAR-TRE-92684b97-83
0.242
MAK-UNK-f2409524-21
0.241
MAR-TRE-f6f5f473-98
0.241
MAK-UNK-ed378e62-39
0.241
MAK-UNK-f2409524-1
0.241
MAR-TRE-e82e6c98-24
0.241
MAK-UNK-f2409524-26
0.241
MAK-UNK-f2409524-35
0.241
SAD-SAT-edc8a235-1
0.241
CAL-WAB-b78df3bb-1
0.240
NAM-UNK-f7c77a48-2
0.239
MAR-TRE-9d18ae8c-16
0.239
MAR-TRE-3159af1a-49
0.239
PET-SGC-a9e9d4f4-1
0.237
TRY-UNI-714a760b-16
0.237
CHA-KIN-ceadbd93-2
0.237
MAR-TRE-799db12b-18
0.236
NIM-UNI-363644a0-2
0.236
RAL-MED-2de63afb-2
0.236
MAK-UNK-748f8b7a-13
0.235
MAR-TRE-b77b7921-13
0.235
MAK-UNK-748f8b7a-3
0.234
MAK-UNK-748f8b7a-16
0.233
MAR-TRE-f6f5f473-54
0.233
DAN-MCD-881986d8-1
0.232
FRA-FAC-9ed5a63a-3
0.232
MED-UNK-e6e8ef8a-7
0.232
MAR-TRE-b77b7921-93
0.230
SID-ELM-b654bfa2-6
0.230
EDJ-MED-6e43a462-5
0.229
MAR-TRE-92684b97-36
0.229
MAR-TRE-be9ff7d2-60
0.229
SIM-DEM-2843056b-6
0.228
ZAC-WAB-2baeb60f-1
0.228
ZAC-WAB-d55a3c2e-1
0.228
KOV-VNK-5e1a909f-37
0.228