Molecular Properties | |
SMILES: | O=C(O)[C@@H](Cc1ccc(O)cc1)N[C@@H]1CCS(=O)(=O)C1 |
MW: | 299.08 |
Fraction sp3: | 0.46 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 103.7 |
cLogP: | 0.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1582557575 |
MAR-TRE-e86a56b5-19
0.449
MAR-TRE-fffca54f-96
0.441
MAR-TRE-e86a56b5-63
0.441
MAR-TRE-e86a56b5-45
0.419
MAR-TRE-e86a56b5-62
0.419
MAR-TRE-e86a56b5-47
0.406
MAR-TRE-85681e92-70
0.388
MAR-TRE-e86a56b5-31
0.388
MAR-TRE-e86a56b5-36
0.384
MAR-TRE-e86a56b5-67
0.377
MAR-TRE-e86a56b5-66
0.371
MAR-TRE-e86a56b5-58
0.365
MAR-TRE-e86a56b5-46
0.361
NIC-BIO-a68395b7-1
0.354
MAR-TRE-e86a56b5-56
0.354
MAR-TRE-e86a56b5-69
0.343
MAR-TRE-e86a56b5-15
0.338
MAR-TRE-e86a56b5-21
0.338
AAR-POS-d2a4d1df-16
0.324
MAR-TRE-e86a56b5-97
0.321
VOL-CHA-d666e5ae-2
0.321
MAR-TRE-e86a56b5-55
0.320
MAR-TRE-85681e92-51
0.319
MAR-TRE-e86a56b5-39
0.319
MAR-TRE-e86a56b5-98
0.319
VOL-CHA-d666e5ae-3
0.316
MAR-TRE-e86a56b5-99
0.313
MAR-TRE-4f39ef4a-25
0.313
MAR-TRE-e86a56b5-81
0.310
NIM-UNI-ed9fc491-1
0.310
NIM-UNI-ed9fc491-2
0.306
MAR-TRE-e86a56b5-73
0.303
VOL-CHA-d666e5ae-4
0.300
NIM-UNI-ed9fc491-3
0.300
NIC-BIO-a68395b7-3
0.299
NIC-BIO-a68395b7-5
0.299
MAR-TRE-e86a56b5-37
0.297
MAR-TRE-e86a56b5-11
0.296
MAR-TRE-e86a56b5-5
0.295
MAR-TRE-ebcc4ad6-35
0.288
NIC-BIO-a68395b7-2
0.287
TRY-UNI-9f475305-11
0.284
MAR-TRE-e86a56b5-6
0.284
NIM-UNI-ed9fc491-4
0.281
NIC-BIO-a68395b7-4
0.280
VOL-CHA-d666e5ae-1
0.280
MAR-TRE-4f39ef4a-40
0.276
MAR-TRE-e86a56b5-64
0.275
ABI-SAT-4d06482b-3
0.275
MAK-UNK-a7992eb3-28
0.273
TRY-UNI-9f475305-10
0.271
MAR-TRE-7f7bb9f0-68
0.271
MAK-UNK-c44f4be0-9
0.269
MAK-UNK-c44f4be0-10
0.267
MAK-UNK-c44f4be0-7
0.266
MAK-UNK-10799360-26
0.265
MAK-UNK-c44f4be0-4
0.263
CHA-KIN-bfe9b535-8
0.263
MAR-TRE-e86a56b5-84
0.262
MAK-UNK-c44f4be0-14
0.261
MAR-TRE-e86a56b5-50
0.260
CHA-KIN-bfe9b535-5
0.260
MAR-TRE-be9ff7d2-19
0.259
MAR-TRE-9c797165-24
0.258
VOL-CHA-d666e5ae-5
0.256
CHA-KIN-87c379ac-1
0.255
MAR-TRE-e86a56b5-65
0.254
MAR-TRE-85681e92-74
0.253
MAR-UCB-195bc32d-14
0.253
MAR-TRE-2fd8122f-44
0.253
MAR-SOS-82e3a7c7-2
0.253
MAR-SOS-c7881798-3
0.253
CHA-KIN-45d1307a-3
0.253
MAK-UNK-c44f4be0-11
0.250
NJA-MAN-b8640440-44
0.250
MAR-TRE-85681e92-91
0.250
MAR-TRE-2fd8122f-28
0.250
CHA-KIN-bfe9b535-1
0.250
CHA-KIN-7308df58-2
0.248
MAR-TRE-e86a56b5-25
0.247
ABI-SAT-4d06482b-4
0.247
MAR-TRE-e86a56b5-42
0.247
CHA-KIN-87c379ac-2
0.246
MAK-UNK-c44f4be0-8
0.245
MAR-TRE-4f39ef4a-52
0.244
CHA-KIN-bfe9b535-7
0.243
MAR-TRE-e86a56b5-49
0.243
GIA-UNK-20b63697-3
0.241
MAR-TRE-85681e92-46
0.241
CHA-KIN-45d1307a-1
0.240
MAK-UNK-c44f4be0-3
0.240
MAR-TRE-e86a56b5-90
0.239
SEL-UNI-49ab05bd-6
0.239
MAR-TRE-e86a56b5-77
0.238
CHA-KIN-bfe9b535-2
0.238
MAR-TRE-e86a56b5-35
0.238
MAR-TRE-e86a56b5-41
0.238
YOI-UNK-15f562e8-1
0.237
MAR-TRE-9d18ae8c-20
0.237
CHA-KIN-7308df58-1
0.236