Molecular Properties | |
SMILES: | CN1CCN(C(=O)CC2(NC(=O)NC3CC3)CN=C3N=CC=CC32)C(CCNS(C)(=O)=O)C1 |
MW: | 479.23 |
Fraction sp3: | 0.71 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 135.57 |
cLogP: | -0.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
JON-FRA-14bedea0-1
0.435
JON-FRA-f64f0c2d-1
0.410
GAB-FRA-261eb2a6-1
0.307
BEN-DND-362d364a-10
0.238
NIC-BIO-ec630548-1
0.236
NIC-BIO-f814dd3d-1
0.220
NIC-BIO-96ee2ca4-2
0.217
NIC-BIO-29f4a211-2
0.216
NIC-BIO-96ee2ca4-1
0.214
WIL-WAB-1289c0dd-1
0.212
PET-SGC-a9e9d4f4-1
0.206
SIM-DEM-5935bd74-5
0.202
SIM-DEM-2843056b-4
0.202
SIM-DEM-2843056b-3
0.202
EDG-MED-ba1ac7b9-15
0.199
TAM-UNI-d1c3dd9f-4
0.198
SIM-DEM-2843056b-5
0.197
NAU-LAT-3f5f3993-10
0.195
MAK-UNK-5e88aa6a-7
0.194
MAK-UNK-1cb0e944-4
0.194
MIC-UNK-460e637d-1
0.194
NIM-UNI-310206f0-34
0.194
SIM-DEM-163f01e0-1
0.193
DUN-NEW-f8ce3686-14
0.192
DAR-DIA-03336633-12
0.191
THO-SYG-f9b2970d-5
0.191
KRI-MAR-d2e3ef86-2
0.191
SAM-UNI-7fd13e32-1
0.190
PET-SGC-abcbce68-1
0.190
SIM-DEM-2843056b-2
0.189
MAK-UNK-8fdbca50-19
0.188
MAR-TRE-c317dd82-88
0.188
EDJ-MED-41558c53-8
0.187
MAR-TRE-e82e6c98-65
0.186
EDJ-MED-41558c53-7
0.186
MAK-UNK-90d0606b-3
0.185
SCO-VAN-260d9628-4
0.185
NIC-BIO-ec630548-4
0.185
SAD-SAT-f25ee457-10
0.184
PET-SGC-f913cec9-1
0.184
WAR-XCH-6eb0722e-6
0.183
MAT-POS-fa06b69f-7
0.183
TAT-ENA-80bfd3e5-45
0.183
MAK-UNK-e4a48a85-24
0.183
MAT-POS-b5746674-97
0.183
LON-WEI-4d77710c-46
0.183
LON-WEI-5e7d1b3e-46
0.183
DAV-UNK-7bdfd6f8-1
0.183
MAR-TRE-d0525fbf-10
0.183
MAR-TRE-be9ff7d2-8
0.183
MAK-UNK-8145c7a0-10
0.182
HAN-NEW-5f56c3bc-4
0.182
NIC-UNI-f08e2453-2
0.181
ZAC-WAB-3baddbb3-1
0.181
ZAC-WAB-d55a3c2e-2
0.181
SCO-CSI-071a6f1c-1
0.180
MIK-MCD-8542a490-1
0.180
FEL-WAB-fb168420-1
0.180
PET-SGC-f913cec9-2
0.180
ANT-DIA-b7f58f21-9
0.180
JUL-TUD-06b2044f-66
0.180
AAR-UNI-c25c2f1e-38
0.180
DUN-NEW-f8ce3686-22
0.179
ASH-UNK-40b46b30-2
0.179
WAR-XCH-6eb0722e-3
0.179
UNK-CYC-68f84b31-63
0.179
SIM-DEM-2843056b-6
0.179
PAU-UNI-f4334617-1
0.179
MAK-UNK-8fdbca50-25
0.178
ELE-IMP-dfb36048-3
0.178
THO-SYG-f9b2970d-3
0.178
THO-SYG-f9b2970d-1
0.178
PET-SGC-0ecb2cfe-1
0.178
NAU-LAT-3f5f3993-2
0.178
THO-SYG-f9b2970d-6
0.178
YUN-WES-64c64eb2-1
0.177
MAK-UNK-8fdbca50-4
0.177
YUN-WES-58b0dbae-2
0.177
NIC-BIO-ec630548-2
0.177
JOK-SYG-6ec557d2-1
0.177
MAR-TRE-be9ff7d2-42
0.176
SEL-UNI-cd366922-2
0.176
KAD-UNI-8a629cb0-17
0.176
ALP-UNI-3496895b-9
0.176
ALP-UNI-76695c4f-8
0.176
ALP-UNI-8e43a71e-9
0.176
KAD-UNI-80f122c8-5
0.176
HEI-REL-0c990a45-3
0.176
PET-SGC-d0156db4-2
0.176
JAR-KUA-41bd5a3d-13
0.176
ALP-POS-5bb456a5-1
0.176
ALP-UNI-3496895b-5
0.176
ALP-POS-67d5babe-1
0.176
ALP-POS-67d5babe-3
0.176
ALP-POS-5bb456a5-2
0.176
ALP-POS-2da19ca7-7
0.176
ALP-UNI-8e43a71e-5
0.176
PET-SGC-210d4c30-1
0.176
DAR-DIA-37454fd7-3
0.175
EDG-MED-ba1ac7b9-2
0.175