Molecular Properties | |
SMILES: | CC(=O)NC(Cc1ccc(O)cc1)C(=O)N(C)c1nccs1 |
MW: | 319.386 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 82.53 |
cLogP: | 1.5589 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-16
MAR-TRE-e86a56b5-63
0.468
MAR-TRE-fffca54f-96
0.468
MAR-TRE-e86a56b5-58
0.460
AAR-POS-d2a4d1df-16
0.405
VOL-CHA-d666e5ae-2
0.397
NIC-BIO-a68395b7-3
0.377
NIC-BIO-a68395b7-5
0.377
NIC-BIO-a68395b7-4
0.370
NIC-BIO-a68395b7-2
0.362
TRY-UNI-9f475305-11
0.358
VOL-CHA-d666e5ae-4
0.358
MAR-TRE-e86a56b5-47
0.352
MAR-TRE-85681e92-51
0.347
NIC-BIO-a68395b7-1
0.345
MAR-TRE-e86a56b5-45
0.343
MAR-TRE-e86a56b5-56
0.343
MAR-TRE-e86a56b5-62
0.343
TRY-UNI-9f475305-10
0.341
MAR-TRE-e86a56b5-31
0.338
NIM-UNI-ed9fc491-1
0.333
VOL-CHA-d666e5ae-5
0.333
MAR-TRE-e86a56b5-69
0.333
NIM-UNI-ed9fc491-2
0.330
MAR-TRE-e86a56b5-73
0.329
MAR-TRE-e86a56b5-55
0.329
MAR-TRE-85681e92-70
0.320
MAR-TRE-e86a56b5-83
0.319
MAR-TRE-e86a56b5-28
0.316
MAR-TRE-e86a56b5-46
0.316
MAK-UNK-c44f4be0-7
0.316
MAR-TRE-e86a56b5-67
0.312
MAR-TRE-e86a56b5-98
0.311
NIM-UNI-ed9fc491-3
0.309
MAR-TRE-e86a56b5-66
0.308
MAR-UCB-195bc32d-14
0.307
MAR-TRE-e86a56b5-64
0.306
MAR-TRE-e86a56b5-81
0.303
CHA-KIN-7308df58-3
0.301
MAR-TRE-e86a56b5-19
0.293
VOL-CHA-d666e5ae-1
0.291
MAK-UNK-c44f4be0-10
0.290
NIM-UNI-ed9fc491-4
0.290
MAR-TRE-e86a56b5-36
0.289
CHA-KIN-45d1307a-2
0.288
MAR-TRE-e86a56b5-99
0.288
MAR-TRE-4f39ef4a-52
0.286
MAR-TRE-e86a56b5-97
0.284
MAR-TRE-e86a56b5-34
0.282
MAR-TRE-4f39ef4a-25
0.278
MAR-TRE-e86a56b5-49
0.274
MAK-UNK-a7992eb3-29
0.274
CHA-KIN-45d1307a-1
0.274
MAK-UNK-10799360-26
0.274
MAK-UNK-c44f4be0-11
0.273
MAR-TRE-e86a56b5-50
0.272
MAK-UNK-c44f4be0-14
0.271
MAR-TRE-e86a56b5-90
0.270
CHA-KIN-7308df58-2
0.269
SEL-UNI-49ab05bd-6
0.269
MAK-UNK-c44f4be0-9
0.265
MAR-TRE-e86a56b5-21
0.263
CHA-KIN-45d1307a-3
0.262
MAR-TRE-ebcc4ad6-35
0.262
NIC-BIO-7d400292-1
0.261
MAR-TRE-e86a56b5-39
0.260
CHA-KIN-bfe9b535-1
0.260
MAR-TRE-e86a56b5-37
0.259
CHA-KIN-7308df58-1
0.257
MAR-TRE-4f39ef4a-40
0.256
MAR-TRE-e86a56b5-54
0.256
MAK-UNK-a7992eb3-28
0.255
MAK-UNK-a7992eb3-27
0.255
MAK-UNK-c44f4be0-8
0.255
MAR-TRE-e86a56b5-9
0.253
CHA-KIN-87c379ac-1
0.252
MAK-UNK-c44f4be0-3
0.250
MAK-UNK-a7992eb3-11
0.250
CHA-KIN-bfe9b535-2
0.248
MAK-UNK-c44f4be0-4
0.248
MAR-TRE-9d18ae8c-20
0.247
MAR-TRE-87acfbcc-23
0.247
NIC-BIO-7d400292-3
0.245
MAR-TRE-e86a56b5-84
0.244
NIC-BIO-7d400292-2
0.244
CHA-KIN-bfe9b535-4
0.241
CHA-KIN-bfe9b535-7
0.241
MAK-UNK-a7992eb3-30
0.241
MAR-TRE-e86a56b5-11
0.241
SAL-INS-68b48d12-12
0.237
MAR-TRE-e86a56b5-77
0.236
CHA-KIN-87c379ac-2
0.234
CHA-KIN-bfe9b535-5
0.234
NIC-BIO-3276ca7f-5
0.232
MAR-TRE-e86a56b5-15
0.232
MAR-TRE-e86a56b5-6
0.232
NJA-MAN-b9fb953f-5
0.229
SAL-INS-68b48d12-4
0.229
MAR-TRE-6c5ef77a-61
0.229
MAR-TRE-aca67d11-15
0.228
CHA-KIN-bfe9b535-3
0.228