Molecular Properties | |
SMILES: | NC(=O)CCNS(=O)(=O)CCCN(C(=O)Nc1cnccc1CNC(=O)NCCc1ccn[nH]1)C1CCCCC1 |
MW: | 577.712 |
Fraction sp3: | 0.56 |
HBA: | 7 |
HBD: | 6 |
Rotatable Bonds: | 15 |
TPSA: | 204.3 |
cLogP: | 1.1981 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
CHA-KIN-6d173bb5-2
0.618
CHA-KIN-6d173bb5-1
0.602
CHA-KIN-cd2ef30b-3
0.586
CHA-KIN-cd2ef30b-1
0.580
CHA-KIN-cd2ef30b-2
0.525
CHA-KIN-f512e507-1
0.377
CHA-KIN-f512e507-2
0.371
CHA-KIN-ceadbd93-6
0.370
CHA-KIN-f512e507-3
0.354
DAR-DIA-03336633-5
0.298
MAK-UNK-f2409524-15
0.297
MAK-UNK-f2409524-33
0.295
PET-SGC-c429dc17-1
0.288
CES-WAB-18e74d70-1
0.288
MAK-UNK-f2409524-31
0.288
LON-WEI-af038623-1
0.281
CHA-KIN-ceadbd93-2
0.280
DAR-DIA-03336633-6
0.273
HAN-NEW-5f56c3bc-3
0.267
DAR-DIA-03336633-1
0.267
DAR-DIA-03336633-7
0.265
MAK-UNK-f2409524-25
0.264
MAK-UNK-f2409524-24
0.259
MAK-UNK-f2409524-29
0.259
MAK-UNK-f2409524-2
0.258
DAR-DIA-03336633-3
0.254
MAK-UNK-f2409524-27
0.252
MAK-UNK-f2409524-26
0.250
MAK-UNK-f2409524-1
0.250
MAK-UNK-f2409524-32
0.250
EDJ-MED-6d9ff7d0-2
0.248
DAR-DIA-03336633-4
0.248
MAT-POS-590ac91e-17
0.248
CHA-KIN-ceadbd93-3
0.246
MAK-UNK-f2409524-36
0.245
MAK-UNK-f2409524-34
0.245
DAR-DIA-03336633-2
0.241
MIC-UNK-ea979c74-4
0.239
MAK-UNK-f2409524-23
0.237
MAK-UNK-b2c98f02-2
0.237
NIM-UNI-363644a0-2
0.237
DAR-DIA-03336633-11
0.234
MAK-UNK-f2409524-35
0.233
MAK-UNK-f2409524-21
0.232
TRY-UNI-714a760b-10
0.231
ALE-HEI-f28a35b5-6
0.231
EDG-MED-0da5ad92-4
0.231
MAK-UNK-f2409524-17
0.230
NAT-WAB-78d8bb1c-2
0.228
MAK-UNK-f2409524-30
0.226
WAR-XCH-bdd24732-13
0.225
DAR-DIA-03336633-9
0.225
CHA-KIN-ceadbd93-1
0.224
MAK-UNK-f2409524-16
0.224
MAK-UNK-b2c98f02-1
0.223
MAK-UNK-f2409524-28
0.221
MAT-POS-136e7878-1
0.221
JOH-IMS-d6628593-1
0.221
AAR-UNI-c25c2f1e-96
0.220
MAR-TRE-74c6519b-81
0.218
JOR-UNI-2fc98d0b-12
0.217
AAR-UNI-c25c2f1e-44
0.217
MAR-UCB-ad2ff052-3
0.217
DAR-DIA-1d7f034a-1
0.217
ZAC-WAB-86e8bacf-1
0.215
AAR-POS-d2a4d1df-13
0.215
ALE-HEI-f28a35b5-9
0.215
FRA-FAC-9ed5a63a-1
0.215
AND-WAB-7d3788f1-1
0.215
SAD-SAT-135344c3-3
0.215
BRU-THA-92256091-9
0.214
MAT-POS-136e7878-2
0.214
TRY-UNI-714a760b-11
0.213
ALE-HEI-f28a35b5-7
0.213
JOR-UNI-61e7b1d5-18
0.213
DAR-DIA-03336633-10
0.213
SID-ELM-2583a2cd-21
0.212
MAR-TRE-b77b7921-80
0.212
ADA-UCB-dc2b944c-2
0.212
MAK-UNK-f2409524-18
0.212
MAK-UNK-748f8b7a-6
0.211
ALP-POS-e980f4ea-13
0.211
EDJ-MED-6d9ff7d0-3
0.210
WAR-XCH-b0339bbe-9
0.210
SID-ELM-8b394441-2
0.210
ADA-UCB-dc2b944c-3
0.209
ADA-UCB-dc2b944c-17
0.209
CHA-KIN-ceadbd93-5
0.209
BEN-DND-32596b04-6
0.209
SIM-DEM-2843056b-4
0.209
MAK-UNK-009ebe36-5
0.209
MAK-UNK-30aad1f1-4
0.209
PET-UNK-372a2f82-1
0.208
WAR-XCH-b0339bbe-6
0.208
SIM-DEM-163f01e0-1
0.208
WAR-XCH-bdd24732-26
0.208
MAT-POS-53907a1c-2
0.208
WAR-XCH-bdd24732-25
0.208
ALP-POS-bb8a3193-7
0.208
RAL-THA-8416115c-6
0.208