Molecular Properties | |
SMILES: | N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN(Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O |
MW: | 538.608 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 6 |
Rotatable Bonds: | 9 |
TPSA: | 156.34 |
cLogP: | 3.4579 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxygen-nitrogen single bond
Singel acyclic N-N bonds
Filter20_hydrazine
acyl hydrazine
Long aliphatic chain
Hetero_hetero
ALE-HEI-f28a35b5-9
YIA-UNI-71f25a82-2
0.500
NIC-BIO-3276ca7f-7
0.495
SAL-INS-68b48d12-5
0.455
CUN-WAB-25b584ee-1
0.438
SAL-INS-68b48d12-9
0.427
NIC-BIO-3276ca7f-2
0.427
MAR-TRE-f5c2d31c-47
0.424
SAL-INS-68b48d12-7
0.416
MAR-TRE-4f781e27-6
0.414
SAL-INS-68b48d12-6
0.405
SUN-WAB-e274cdaf-1
0.396
MAR-TRE-4f781e27-69
0.390
SAL-INS-68b48d12-10
0.384
MAR-UCB-195bc32d-9
0.380
MAR-TRE-74c6519b-79
0.379
MAR-UCB-195bc32d-18
0.376
ALP-POS-a3de0cb1-15
0.365
SAL-INS-68b48d12-8
0.361
MAR-TRE-85681e92-33
0.354
NJA-MAN-b9fb953f-5
0.348
SAN-PRS-3c4a6997-2
0.344
MAR-UCB-195bc32d-22
0.341
WIL-UNI-1faa9b10-29
0.330
MAR-TRE-4f39ef4a-5
0.330
ALP-POS-8ed8d9ec-6
0.325
MAR-TRE-fd17a9b8-10
0.324
CUN-WAB-25b584ee-2
0.323
MAR-TRE-4f39ef4a-9
0.321
MAR-UCB-195bc32d-4
0.312
NIC-BIO-3276ca7f-4
0.308
NIC-BIO-b40446ce-2
0.304
MAR-TRE-85681e92-53
0.302
MAR-TRE-36bf7dba-27
0.299
LON-WEI-1908424e-9
0.296
MAR-TRE-36bf7dba-26
0.296
MAR-TRE-85681e92-68
0.295
MAR-UCB-195bc32d-13
0.295
ANT-OPE-ab37bd51-2
0.294
AAR-UNI-c25c2f1e-73
0.294
JOH-MSK-a63bdd1d-10
0.292
MAR-TRE-85681e92-69
0.291
FEL-WAB-fb168420-2
0.288
MAR-TRE-be9ff7d2-10
0.287
MAR-TRE-36bf7dba-21
0.286
JUS-UNI-57125a42-1
0.284
BRU-UNI-248b30bc-8
0.281
LON-WEI-5e7d1b3e-20
0.280
AAR-UNI-c25c2f1e-26
0.280
LON-WEI-4d77710c-20
0.280
ALP-POS-8ed8d9ec-2
0.278
FEL-WAB-fb168420-3
0.278
MAR-TRE-fd17a9b8-35
0.278
AAR-UNI-c25c2f1e-29
0.275
MAT-POS-ea426761-94
0.274
SHA-THE-408e7524-16
0.270
WAL-WAB-c1441da0-2
0.267
MAR-TRE-fd17a9b8-1
0.267
MAR-TRE-b77b7921-67
0.267
AAR-UNI-c25c2f1e-72
0.265
MAR-TRE-85681e92-20
0.264
SAL-INS-68b48d12-3
0.264
MAR-TRE-92684b97-97
0.264
AAR-UNI-c25c2f1e-34
0.263
IAN-BAS-8ad3d156-1
0.262
PRA-UNK-c22cca29-1
0.261
MAR-TRE-4f781e27-94
0.261
BRU-UNI-248b30bc-12
0.260
JIN-POS-6dc588a4-5
0.260
SAL-INS-a5f8a8b9-1
0.259
SAL-INS-68b48d12-1
0.259
MAR-TRE-fd17a9b8-25
0.258
MAR-TRE-85681e92-60
0.257
SAL-INS-68b48d12-11
0.254
MAR-TRE-c317dd82-38
0.254
MAT-POS-162a9720-8
0.253
MAR-TRE-be9ff7d2-9
0.252
MAR-TRE-fd17a9b8-18
0.252
RED-RED-10c9212c-33
0.250
NIC-BIO-3276ca7f-1
0.250
NIC-BIO-3276ca7f-6
0.248
RED-RED-10c9212c-42
0.248
MAR-TRE-85681e92-45
0.248
MAR-TRE-85681e92-38
0.245
MAR-TRE-85681e92-64
0.245
NAU-LAT-81109c57-1
0.245
BUT-SEX-9e782cc8-1
0.244
NIC-BIO-3276ca7f-5
0.243
JUA-UNI-b93289a4-6
0.242
NIC-BIO-f814dd3d-1
0.242
NIC-BIO-b40446ce-1
0.241
ROB-UNI-daaf9793-1
0.241
MAT-POS-e1b5ac6b-1
0.241
WAL-WAB-c1441da0-1
0.240
MAR-TRE-9d18ae8c-91
0.239
AAR-POS-fca48359-12
0.239
FAR-UNI-9a76d7b5-1
0.239
MAR-TRE-92684b97-5
0.239
KEI-TRE-d5e2018a-23
0.237
MAR-TRE-4b834d9a-27
0.237
MAR-TRE-e86a56b5-41
0.236