Molecular Properties | |
SMILES: | CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=O)C(N)=O |
MW: | 636.71 |
Fraction sp3: | 0.35 |
HBA: | 7 |
HBD: | 9 |
Rotatable Bonds: | 17 |
TPSA: | 250.63 |
cLogP: | -1.16169999999999 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Dipeptide
AAR-POS-d2a4d1df-14
SAL-INS-68b48d12-10
0.865
SAL-INS-68b48d12-8
0.730
SAL-INS-68b48d12-4
0.724
SAL-INS-68b48d12-12
0.708
SAL-INS-68b48d12-5
0.642
SAL-INS-a5f8a8b9-2
0.600
SAL-INS-68b48d12-2
0.590
SAL-INS-68b48d12-9
0.556
NIC-BIO-3276ca7f-7
0.547
NIC-BIO-3276ca7f-2
0.495
SAL-INS-68b48d12-7
0.449
YIA-UNI-71f25a82-2
0.440
SAL-INS-68b48d12-11
0.426
CUN-WAB-25b584ee-1
0.419
MAR-TRE-74c6519b-79
0.417
SAL-INS-68b48d12-3
0.415
YIA-UNI-71f25a82-1
0.405
SHA-THE-408e7524-16
0.386
MAR-TRE-4f781e27-6
0.385
SUN-WAB-e274cdaf-1
0.383
SAL-INS-a5f8a8b9-1
0.377
MAR-UCB-195bc32d-18
0.376
MAR-TRE-f5c2d31c-47
0.365
SAN-PRS-3c4a6997-2
0.361
FAR-UNI-9a76d7b5-1
0.360
NIC-BIO-3276ca7f-4
0.360
AAR-POS-fca48359-12
0.360
MAR-TRE-4f781e27-69
0.351
SHA-THE-408e7524-12
0.351
NJA-MAN-b9fb953f-5
0.350
NIC-BIO-b40446ce-2
0.342
ABH-HOE-1cbf6cd9-4
0.338
ABH-HOE-1cbf6cd9-1
0.331
SAL-INS-68b48d12-1
0.331
MAR-TRE-85681e92-33
0.330
MAR-TRE-4f39ef4a-9
0.325
SHA-THE-408e7524-9
0.321
PRA-UNK-c22cca29-1
0.318
FAR-UNI-a04c1544-1
0.315
NIC-BIO-3276ca7f-1
0.313
JAN-GHE-f375bf5b-1
0.311
WIL-UNI-1faa9b10-29
0.310
MAR-TRE-4f39ef4a-5
0.310
ABH-HOE-1cbf6cd9-2
0.308
MAR-TRE-fd17a9b8-10
0.305
PRA-UNK-35958606-1
0.302
MAR-UCB-195bc32d-9
0.302
JUS-UNI-57125a42-1
0.302
ANT-OPE-ab37bd51-2
0.300
NIC-BIO-3276ca7f-6
0.298
LON-WEI-4d77710c-20
0.296
LON-WEI-5e7d1b3e-20
0.296
FAR-UNI-124f5ee8-1
0.296
MAR-TRE-fd17a9b8-35
0.296
ABH-HOE-1cbf6cd9-3
0.293
NIC-BIO-b40446ce-1
0.292
MAR-TRE-36bf7dba-21
0.291
MAR-UCB-195bc32d-22
0.291
CUN-WAB-25b584ee-2
0.288
JUA-UNI-b93289a4-6
0.288
AAR-UNI-c25c2f1e-73
0.288
MAK-UNK-c44f4be0-10
0.288
SHA-THE-408e7524-8
0.288
BRU-UNI-248b30bc-8
0.287
ALP-POS-a3de0cb1-15
0.286
MAR-TRE-36bf7dba-27
0.283
NIC-BIO-3276ca7f-3
0.283
NIC-BIO-3276ca7f-5
0.283
MAK-UNK-c44f4be0-2
0.281
JUA-UNI-a9dfaed1-6
0.278
SHA-THE-408e7524-10
0.276
AAR-UNI-c25c2f1e-26
0.276
MAK-UNK-a7992eb3-18
0.274
MAK-UNK-f983951f-22
0.273
FEL-WAB-fb168420-2
0.273
JOH-MSK-a63bdd1d-10
0.273
MAK-UNK-c44f4be0-1
0.271
MAR-TRE-36bf7dba-26
0.270
MAR-TRE-85681e92-68
0.267
PRA-UNK-95a569ae-1
0.265
MAR-TRE-85681e92-69
0.264
FEL-WAB-fb168420-3
0.264
MAR-TRE-85681e92-53
0.263
AAR-UNI-c25c2f1e-72
0.262
AAR-UNI-c25c2f1e-29
0.261
AAR-POS-d2a4d1df-16
0.259
MAK-UNK-ec98eaf6-54
0.259
ARI-TAT-5792557e-28
0.259
JIN-POS-6dc588a4-5
0.257
RED-RED-10c9212c-42
0.256
MAK-UNK-c44f4be0-7
0.256
ALP-POS-8ed8d9ec-6
0.256
NIC-BIO-a68395b7-4
0.254
MAR-TRE-b77b7921-67
0.254
MAK-UNK-a7992eb3-26
0.254
MAK-UNK-a7992eb3-25
0.252
MAT-POS-ea426761-94
0.250
MAT-POS-162a9720-8
0.250
AAR-UNI-c25c2f1e-34
0.250
BUG-UNK-6d12595f-1
0.249