Molecular Properties | |
SMILES: | CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(N)nc1 |
MW: | 302.14 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 110.25 |
cLogP: | 1.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
Dipeptide
MAR-TRE-74c6519b-52
0.577
MAR-TRE-67513f76-47
0.543
MAR-TRE-7f7bb9f0-11
0.407
MAR-TRE-f6f5f473-28
0.403
MAR-TRE-7f7bb9f0-63
0.337
MAR-TRE-f6f5f473-8
0.337
MAR-TRE-f6f5f473-90
0.337
MAR-TRE-7f7bb9f0-99
0.333
MAR-TRE-9c797165-70
0.333
MAR-TRE-4b834d9a-89
0.333
MAR-TRE-f6f5f473-73
0.333
MAR-TRE-67513f76-75
0.329
BAR-COM-4e090d3a-7
0.326
MAR-TRE-7f7bb9f0-20
0.321
MAR-TRE-d0525fbf-82
0.318
MAR-TRE-74c6519b-46
0.318
MAR-TRE-67513f76-44
0.317
MAR-TRE-3e4e6814-87
0.317
MAR-TRE-9c797165-84
0.317
MAR-TRE-f6f5f473-77
0.315
MAR-TRE-9c797165-2
0.313
MAR-TRE-67513f76-14
0.313
MAR-TRE-9c797165-77
0.312
MAR-TRE-67513f76-99
0.312
MAR-TRE-3e4e6814-39
0.310
MAR-TRE-9c797165-4
0.310
MAR-TRE-e86a56b5-73
0.309
MAR-TRE-f6f5f473-9
0.308
MAR-TRE-9c797165-44
0.308
MAR-TRE-7f7bb9f0-14
0.307
MAR-TRE-f6f5f473-56
0.306
MAR-TRE-67513f76-86
0.305
MAR-TRE-f6f5f473-74
0.303
MAR-TRE-67513f76-3
0.302
MAR-TRE-3e4e6814-58
0.302
MAR-TRE-2fd8122f-1
0.302
MAR-TRE-7f7bb9f0-86
0.301
MAR-TRE-74c6519b-48
0.301
MAR-TRE-74c6519b-50
0.300
MAR-TRE-67513f76-31
0.297
MAR-TRE-e86a56b5-67
0.291
MAR-TRE-2fd8122f-60
0.291
MAR-TRE-7f7bb9f0-67
0.289
MAR-TRE-9c797165-33
0.289
MAR-TRE-74c6519b-53
0.287
MAR-TRE-74c6519b-24
0.287
MAR-TRE-7f7bb9f0-21
0.286
MAR-TRE-04c86cea-78
0.286
MAR-TRE-f6f5f473-91
0.286
MAR-TRE-3e4e6814-96
0.284
MAR-TRE-3e4e6814-23
0.283
MAR-TRE-9c797165-83
0.282
MAR-TRE-b77b7921-72
0.281
MAR-TRE-b77b7921-63
0.281
MAR-TRE-9c797165-24
0.280
MAR-TRE-f6f5f473-97
0.279
MAR-TRE-fd17a9b8-37
0.278
MAR-TRE-74c6519b-29
0.277
MAR-TRE-7f7bb9f0-45
0.276
MAR-TRE-7f7bb9f0-13
0.276
MAR-TRE-4b834d9a-65
0.274
MAR-TRE-04c86cea-44
0.274
MAR-TRE-f6f5f473-14
0.274
RUT-UNI-630c5802-16
0.271
MAR-TRE-d0525fbf-30
0.271
MAR-TRE-f6f5f473-80
0.270
MAR-TRE-f6f5f473-69
0.269
MAR-TRE-74c6519b-12
0.268
MAR-LAB-ff9967db-35
0.264
MAR-TRE-799db12b-3
0.264
MAR-TRE-67513f76-35
0.260
MAR-TRE-4b834d9a-58
0.260
MAR-TRE-9c797165-10
0.258
MAR-TRE-9c797165-58
0.258
MAR-TRE-9c797165-32
0.255
MAR-TRE-04c86cea-62
0.255
MAR-TRE-67513f76-64
0.253
BEN-VAN-5787f7d3-4
0.252
RUT-UNI-630c5802-8
0.252
ROB-UNI-269bf23d-1
0.250
MAR-TRE-be9ff7d2-68
0.250
AAR-UNI-c25c2f1e-35
0.250
MAR-TRE-04c86cea-38
0.247
MAR-TRE-4b834d9a-64
0.247
RUT-UNI-630c5802-3
0.245
NJA-MAN-b9fb953f-2
0.242
BEN-DND-03406596-4
0.241
BEN-DND-93268d01-1
0.241
BEN-DND-03406596-12
0.241
BEN-DND-03406596-11
0.241
MAR-TRE-3e4e6814-16
0.240
RUT-UNI-630c5802-12
0.239
ALP-POS-02c6a514-56
0.238
MAR-TRE-3e4e6814-22
0.238
MAR-TRE-3e4e6814-57
0.237
MAR-LAB-ca4662a6-6
0.236
MAR-TRE-f6f5f473-63
0.236
MAR-TRE-7f7bb9f0-49
0.235
TRY-UNI-714a760b-14
0.235
BAR-COM-4e090d3a-36
0.234