Molecular Properties | |
SMILES: | Cc1nnc(CC(C(=O)Nc2c[nH]c3ccccc23)C(C)CCCc2ccc(S(N)(=O)=O)cc2)s1 |
MW: | 511.673 |
Fraction sp3: | 0.32 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 10 |
TPSA: | 130.83 |
cLogP: | 4.43162 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
WAL-WAB-c1441da0-1
0.642
WAL-WAB-9cbe20c2-2
0.574
WAL-WAB-9cbe20c2-1
0.357
ALP-POS-a3de0cb1-14
0.325
JIN-POS-6dc588a4-5
0.318
ANT-OPE-ab37bd51-1
0.312
GAB-REV-70cc3ca5-17
0.280
MAR-TRE-36bf7dba-21
0.275
MAR-TRE-36bf7dba-26
0.273
NIC-BIO-3276ca7f-2
0.269
YIA-UNI-71f25a82-2
0.269
YIA-UNI-71f25a82-1
0.267
NIC-BIO-3276ca7f-7
0.261
MAK-UNK-8145c7a0-6
0.260
LON-WEI-5e7d1b3e-20
0.260
LON-WEI-4d77710c-20
0.260
SAL-INS-68b48d12-9
0.257
WIL-LEE-23e8b574-7
0.257
MAR-TRE-fd17a9b8-35
0.256
CUN-WAB-25b584ee-1
0.256
SUN-WAB-e274cdaf-1
0.256
SAL-INS-68b48d12-5
0.255
MAR-TRE-4f781e27-69
0.254
MAR-TRE-4f39ef4a-9
0.252
MAR-TRE-4f781e27-6
0.252
NJA-MAN-b9fb953f-5
0.252
SAL-INS-68b48d12-10
0.252
SAL-INS-68b48d12-7
0.252
AAR-UNI-c25c2f1e-73
0.250
SAD-SAT-cefd50cc-9
0.250
SAN-PRS-3c4a6997-2
0.250
SAL-INS-68b48d12-8
0.248
MAR-TRE-36bf7dba-27
0.248
MAR-TRE-74c6519b-79
0.248
MAR-UCB-195bc32d-18
0.248
MAR-TRE-2fd8122f-5
0.246
CUN-WAB-25b584ee-2
0.245
MAR-TRE-6a44bbf2-73
0.245
SAD-SAT-65574d3f-2
0.245
MAR-TRE-85681e92-33
0.244
AAR-UNI-c25c2f1e-26
0.241
AAR-POS-0daf6b7e-45
0.240
NAU-LAT-42d4957e-6
0.239
MAR-TRE-f5c2d31c-47
0.239
MAR-TRE-b77b7921-67
0.239
MAK-UNK-8145c7a0-7
0.238
SAL-INS-68b48d12-6
0.238
MAR-TRE-4f39ef4a-5
0.238
GAB-REV-70cc3ca5-20
0.237
MAR-TRE-423310b6-30
0.237
MAR-UCB-195bc32d-9
0.237
MAK-UNK-8145c7a0-4
0.237
MAK-UNK-8145c7a0-5
0.234
AAR-UNI-c25c2f1e-29
0.234
PET-SGC-c4a91520-1
0.234
BRU-UNI-248b30bc-12
0.234
MAR-TRE-fd17a9b8-25
0.232
NAU-LAT-42d4957e-4
0.231
MAR-TRE-87acfbcc-44
0.228
ANT-OPE-ab37bd51-2
0.227
MAR-TRE-66ac689e-52
0.226
MAR-UCB-195bc32d-45
0.226
MAR-TRE-fd17a9b8-18
0.226
MAR-UCB-195bc32d-22
0.225
ADA-UCB-6c2cb422-8
0.225
SAD-SAT-1f400d17-7
0.224
GAB-REV-df64cf17-18
0.224
ALP-UNI-3496895b-16
0.224
ALP-UNI-8e43a71e-16
0.224
IAN-BAS-5394d4c4-1
0.221
ADA-UCB-6c2cb422-11
0.221
ADA-UCB-6c2cb422-10
0.221
WIL-UNI-1faa9b10-29
0.220
RED-RED-10c9212c-42
0.220
MAR-TRE-85681e92-68
0.220
ALP-POS-a3de0cb1-15
0.219
MAR-TRE-85681e92-69
0.219
SAD-SAT-cefd50cc-8
0.219
AAR-UNI-c25c2f1e-72
0.218
LON-WEI-5e7d1b3e-56
0.217
LON-WEI-4d77710c-56
0.217
JOH-MSK-a63bdd1d-10
0.217
FNM-UNK-09aa97f7-1
0.217
SID-UNK-90efdc9b-1
0.217
MAT-POS-ea426761-94
0.216
MAR-TRE-85681e92-53
0.216
MAK-UNK-8145c7a0-3
0.214
MAR-TRE-f5c2d31c-72
0.214
ASH-UNK-40b46b30-5
0.213
MAR-TRE-ebcc4ad6-47
0.213
ALE-HEI-f28a35b5-5
0.212
SIM-DEM-5935bd74-3
0.212
DAV-CRI-f9b12666-9
0.212
LON-WEI-5e7d1b3e-37
0.211
LON-WEI-5e7d1b3e-4
0.211
LON-WEI-4d77710c-4
0.211
LON-WEI-4d77710c-37
0.211
RAL-THA-1d44ff04-10
0.211
MAT-POS-24589f88-12
0.211
ANT-OPE-47f3bb65-4
0.211