Molecular Properties | |
SMILES: | NC(=O)CCCN(CCNS(N)(=O)=O)C(=O)C(Cc1ccc(O)cc1)NC(=O)Nc1ncc[nH]1 |
MW: | 496.55 |
Fraction sp3: | 0.37 |
HBA: | 7 |
HBD: | 7 |
Rotatable Bonds: | 13 |
TPSA: | 225.63 |
cLogP: | -1.26469999999999 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
CHA-KIN-7308df58-2
0.677
CHA-KIN-7308df58-1
0.612
CHA-KIN-45d1307a-1
0.590
CHA-KIN-45d1307a-2
0.580
CHA-KIN-45d1307a-3
0.571
CHA-KIN-87c379ac-1
0.448
CHA-KIN-87c379ac-2
0.379
MAR-TRE-e86a56b5-66
0.312
CHA-KIN-bfe9b535-6
0.312
MAR-TRE-e86a56b5-47
0.304
CHA-KIN-bfe9b535-4
0.304
CHA-KIN-bfe9b535-7
0.304
CHA-KIN-bfe9b535-8
0.303
CHA-KIN-bfe9b535-1
0.303
CHA-KIN-bfe9b535-3
0.302
VOL-CHA-d666e5ae-3
0.301
CHA-KIN-bfe9b535-2
0.301
CHA-KIN-bfe9b535-5
0.298
MAR-TRE-e86a56b5-31
0.295
MAR-TRE-e86a56b5-63
0.292
MAR-TRE-fffca54f-96
0.292
MAR-TRE-e86a56b5-69
0.292
MAR-TRE-e86a56b5-58
0.289
MAR-TRE-e86a56b5-62
0.283
MAR-TRE-e86a56b5-45
0.283
MAR-TRE-e86a56b5-56
0.283
CHA-KIN-bfe9b535-9
0.279
MAK-UNK-c44f4be0-9
0.276
MAR-TRE-e86a56b5-67
0.276
MAR-TRE-e86a56b5-98
0.274
MAR-TRE-85681e92-70
0.268
MAR-TRE-e86a56b5-46
0.267
MAR-TRE-e86a56b5-73
0.265
MAR-TRE-85681e92-51
0.263
MAR-TRE-e86a56b5-19
0.262
MAK-UNK-c44f4be0-11
0.261
MAR-TRE-e86a56b5-36
0.260
MAK-UNK-c44f4be0-14
0.259
MAR-TRE-e86a56b5-81
0.255
AAR-POS-d2a4d1df-16
0.255
MAR-TRE-e86a56b5-55
0.252
MAK-UNK-c44f4be0-10
0.252
VOL-CHA-d666e5ae-1
0.250
MAK-UNK-c44f4be0-8
0.246
VOL-CHA-d666e5ae-2
0.243
MAR-TRE-e86a56b5-99
0.242
MAK-UNK-c44f4be0-3
0.242
MAK-UNK-c44f4be0-7
0.242
VOL-CHA-d666e5ae-4
0.241
MAK-UNK-c44f4be0-4
0.240
SHA-THE-408e7524-23
0.239
NIC-BIO-a68395b7-3
0.238
NIC-BIO-a68395b7-5
0.238
TRY-UNI-9f475305-10
0.232
NIC-BIO-a68395b7-2
0.231
SHA-THE-408e7524-16
0.231
MAR-TRE-e86a56b5-28
0.231
VOL-CHA-d666e5ae-5
0.231
MAR-TRE-4f39ef4a-25
0.230
ABH-HOE-1cbf6cd9-2
0.230
TRY-UNI-9f475305-11
0.229
NIM-UNI-ed9fc491-1
0.228
NIC-BIO-a68395b7-4
0.227
NIM-UNI-ed9fc491-2
0.226
SEL-UNI-49ab05bd-6
0.224
NIC-BIO-a68395b7-1
0.223
MAR-TRE-e86a56b5-50
0.221
MAR-UCB-195bc32d-14
0.219
CHA-KIN-6d173bb5-2
0.219
MAR-TRE-9d18ae8c-20
0.218
MAR-TRE-e86a56b5-77
0.218
MAR-TRE-e86a56b5-64
0.216
NIM-UNI-ed9fc491-3
0.215
MAR-TRE-e86a56b5-6
0.214
MAR-TRE-e86a56b5-97
0.212
MAR-TRE-4f39ef4a-52
0.211
MAR-TRE-e86a56b5-39
0.210
MAR-TRE-66ac689e-81
0.209
MAR-TRE-e86a56b5-11
0.208
CHA-KIN-f512e507-1
0.207
JIA-UNI-12b1f9ae-2
0.207
SAL-INS-68b48d12-11
0.207
NIM-UNI-ed9fc491-4
0.205
MAK-UNK-10799360-26
0.205
LEE-CAM-7ab9b158-3
0.204
MAR-TRE-fd17a9b8-61
0.204
MAR-TRE-87acfbcc-51
0.204
SAL-INS-68b48d12-3
0.203
CHA-KIN-f512e507-2
0.203
SAL-INS-68b48d12-5
0.203
MAR-TRE-e86a56b5-83
0.202
MAR-TRE-85681e92-91
0.202
NAU-LAT-64f4b287-6
0.202
JAN-LUN-3e0f9c09-2
0.202
JAN-LUN-8953ce76-4
0.202
SHA-THE-408e7524-12
0.200
MAR-TRE-4f39ef4a-40
0.198
UNK-CYC-68f84b31-1
0.197
MAR-TRE-9c797165-63
0.197
MAR-TRE-e86a56b5-35
0.196