Molecular Properties | |
SMILES: | CC(Cc1ccsc1)NC(=O)NCC(Cc1ccc(O)cc1)N(C)C |
MW: | 361.18 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 64.6 |
cLogP: | 2.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8238306640 |
Long aliphatic chain
MAR-TRE-e86a56b5-31
0.316
MAR-TRE-e86a56b5-63
0.315
MAR-TRE-fffca54f-96
0.315
MAR-TRE-e86a56b5-47
0.312
MAR-TRE-e86a56b5-58
0.311
VOL-CHA-d666e5ae-3
0.307
MAR-TRE-e86a56b5-45
0.303
AAR-POS-d2a4d1df-16
0.298
CHA-KIN-bfe9b535-1
0.295
MAR-TRE-e86a56b5-98
0.291
MAR-TRE-e86a56b5-56
0.286
MAR-TRE-e86a56b5-62
0.286
MAR-TRE-e86a56b5-81
0.284
NIC-BIO-a68395b7-2
0.281
VOL-CHA-d666e5ae-4
0.278
MAR-TRE-85681e92-51
0.277
NIC-BIO-a68395b7-3
0.276
NIC-BIO-a68395b7-5
0.276
VOL-CHA-d666e5ae-1
0.275
MAR-TRE-e86a56b5-66
0.274
NIM-UNI-ed9fc491-1
0.274
MAK-UNK-c44f4be0-11
0.272
MAR-TRE-e86a56b5-99
0.269
MAR-TRE-85681e92-70
0.268
MAR-TRE-e86a56b5-46
0.267
VOL-CHA-d666e5ae-5
0.267
VOL-CHA-d666e5ae-2
0.267
MAR-TRE-e86a56b5-69
0.265
MAR-TRE-e86a56b5-73
0.264
MAR-TRE-e86a56b5-55
0.264
MAK-UNK-c44f4be0-7
0.262
MAR-TRE-e86a56b5-67
0.262
MAK-UNK-c44f4be0-3
0.262
MAR-TRE-e86a56b5-19
0.261
NIC-BIO-a68395b7-4
0.261
MAR-TRE-e86a56b5-36
0.258
NIM-UNI-ed9fc491-2
0.258
MAR-TRE-e86a56b5-50
0.256
MAR-TRE-4f39ef4a-52
0.256
NIC-BIO-a68395b7-1
0.255
MAK-UNK-212f693e-6
0.253
MAR-TRE-e86a56b5-28
0.253
MAK-UNK-acefcb18-8
0.253
TRY-UNI-9f475305-10
0.253
MAK-UNK-c44f4be0-10
0.250
MAR-TRE-4f39ef4a-25
0.250
TRY-UNI-9f475305-11
0.250
MAR-TRE-8190bb11-97
0.247
ALP-POS-a3de0cb1-7
0.245
MAK-UNK-c44f4be0-14
0.245
MAR-TRE-e86a56b5-39
0.244
RAL-THA-4a5dabff-6
0.243
MAK-UNK-b7886382-1
0.243
MAR-TRE-4f39ef4a-40
0.241
MIH-UNI-6b9ca91a-1
0.241
MAR-TRE-e86a56b5-11
0.241
MAK-UNK-10dfa458-20
0.241
MAK-UNK-6435e6c2-3
0.241
MAK-UNK-c44f4be0-9
0.240
ALP-POS-a3de0cb1-10
0.240
MAK-UNK-a7992eb3-11
0.239
MAK-UNK-212f693e-16
0.237
CHA-KIN-bfe9b535-2
0.237
MAR-TRE-e86a56b5-77
0.237
MAK-UNK-c44f4be0-4
0.236
CHA-KIN-bfe9b535-8
0.236
CHA-KIN-bfe9b535-5
0.235
RAL-THA-4a5dabff-5
0.234
RAL-THA-d07c7800-6
0.233
MAR-TRE-e86a56b5-21
0.233
MAK-UNK-212f693e-7
0.232
MAR-TRE-e86a56b5-84
0.232
MAK-UNK-a7992eb3-14
0.231
MAK-UNK-c44f4be0-8
0.231
CHA-KIN-bfe9b535-7
0.231
NIM-UNI-ed9fc491-3
0.231
CHA-KIN-bfe9b535-4
0.231
CHA-KIN-45d1307a-2
0.230
MAR-TRE-e86a56b5-37
0.230
NIM-UNI-ed9fc491-4
0.229
RUT-UNI-630c5802-24
0.229
MAR-TRE-e86a56b5-97
0.229
AAR-POS-0daf6b7e-13
0.229
LON-WEI-8f408cad-7
0.229
MAK-UNK-212f693e-8
0.229
MAK-UNK-212f693e-15
0.229
MAK-UNK-10dfa458-1
0.229
CHA-KIN-bfe9b535-3
0.229
RUT-UNI-630c5802-18
0.229
MAR-TRE-d3c2bf0e-8
0.228
CHA-KIN-45d1307a-3
0.227
CHA-KIN-bfe9b535-9
0.227
MAR-TRE-ebcc4ad6-35
0.225
SHA-THE-408e7524-23
0.225
MAK-UNK-212f693e-34
0.224
MAK-UNK-212f693e-35
0.224
MAR-TRE-9d18ae8c-20
0.223
CHA-KIN-7308df58-2
0.223
LAU-FAC-e2c8b4ad-1
0.221
DAR-DIA-842b4336-10
0.221