Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
MW: | 300.11 |
Fraction sp3: | 0.12 |
HBA: | 3 |
HBD: | 4 |
Rotatable Bonds: | 5 |
TPSA: | 98.66 |
cLogP: | 2.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-fffca54f-96
0.537
MAR-TRE-e86a56b5-63
0.537
MAR-TRE-e86a56b5-47
0.517
MAR-TRE-e86a56b5-62
0.509
MAR-TRE-e86a56b5-45
0.509
MAR-TRE-e86a56b5-31
0.492
MAR-TRE-e86a56b5-67
0.476
MAR-TRE-e86a56b5-69
0.438
MAX-MCD-16e3709a-1
0.436
MAR-TRE-e86a56b5-46
0.433
MAR-TRE-e86a56b5-55
0.426
MAR-TRE-85681e92-70
0.422
MAR-TRE-e86a56b5-19
0.420
CHA-KIN-bfe9b535-1
0.414
MAR-TRE-e86a56b5-98
0.413
MAR-TRE-e86a56b5-81
0.400
MAR-TRE-e86a56b5-58
0.400
TRY-UNI-9f475305-11
0.397
CHA-KIN-45d1307a-1
0.396
MAR-TRE-e86a56b5-56
0.387
MAR-TRE-e86a56b5-99
0.387
MAR-TRE-e86a56b5-97
0.382
TRY-UNI-9f475305-10
0.377
MAR-TRE-4f39ef4a-25
0.372
AAR-POS-d2a4d1df-16
0.371
MAR-TRE-e86a56b5-28
0.371
CHA-KIN-bfe9b535-8
0.367
NIC-BIO-a68395b7-3
0.361
MAR-TRE-e86a56b5-77
0.360
MAK-UNK-c44f4be0-10
0.349
MAK-UNK-c44f4be0-9
0.349
MAR-TRE-85681e92-51
0.348
CHA-KIN-bfe9b535-2
0.347
MAR-TRE-e86a56b5-73
0.347
CHA-KIN-bfe9b535-3
0.347
MAK-UNK-c44f4be0-7
0.345
MAR-TRE-e86a56b5-64
0.344
CHA-KIN-bfe9b535-5
0.344
CHA-KIN-bfe9b535-9
0.343
MAR-TRE-e86a56b5-11
0.343
NIC-BIO-a68395b7-5
0.342
MAR-TRE-e86a56b5-41
0.342
CHA-KIN-45d1307a-3
0.341
WIL-UNI-5578df48-11
0.338
NIC-BIO-a68395b7-4
0.338
NIM-UNI-ed9fc491-3
0.337
CHA-KIN-bfe9b535-7
0.337
CHA-KIN-bfe9b535-4
0.337
CHA-KIN-87c379ac-1
0.333
MAK-UNK-c44f4be0-8
0.333
CHA-KIN-bfe9b535-6
0.333
VOL-CHA-d666e5ae-2
0.329
NIC-BIO-a68395b7-2
0.329
CHA-KIN-7308df58-1
0.327
CHA-KIN-45d1307a-2
0.326
MAK-UNK-c44f4be0-11
0.326
VOL-CHA-d666e5ae-4
0.325
SID-ELM-8b394441-1
0.324
SID-ELM-8b394441-3
0.324
AAR-UNI-c25c2f1e-100
0.320
PET-SGC-0f1d26ed-2
0.320
MAR-TRE-e86a56b5-5
0.320
MAR-TRE-e86a56b5-36
0.320
CHA-KIN-7308df58-2
0.319
ALE-HEI-f28a35b5-1
0.319
TAT-ENA-80bfd3e5-23
0.319
TRY-UNI-714a760b-4
0.319
SAD-SAT-6b5a89f0-8
0.316
NIM-UNI-ed9fc491-4
0.315
MAK-UNK-129dcd6f-6
0.315
AAR-UNI-c25c2f1e-51
0.315
HAN-NEW-5f56c3bc-1
0.314
SHA-THE-408e7524-23
0.314
SID-ELM-2583a2cd-5
0.313
BAR-COM-4e090d3a-56
0.313
CHA-KIN-7308df58-3
0.312
NIC-BIO-a68395b7-1
0.312
AAR-POS-d2a4d1df-11
0.312
MAK-UNK-c44f4be0-3
0.312
TRY-UNI-714a760b-8
0.310
MAR-TRE-e86a56b5-39
0.309
VOL-CHA-d666e5ae-3
0.308
PET-SGC-0f1d26ed-1
0.308
AAR-UNI-c25c2f1e-16
0.307
SID-ELM-8b394441-5
0.306
VOL-CHA-d666e5ae-1
0.304
JOH-SUS-bab12148-1
0.302
MAR-TRE-e86a56b5-50
0.301
SID-ELM-b654bfa2-1
0.301
NIM-UNI-ed9fc491-1
0.301
MAR-TRE-e86a56b5-25
0.300
MAR-TRE-9d18ae8c-20
0.299
AAR-UNI-c25c2f1e-65
0.299
MAR-TRE-ebcc4ad6-35
0.298
AAR-UNI-c25c2f1e-64
0.298
NIM-UNI-ed9fc491-2
0.298
WIL-UNI-5578df48-10
0.297
SID-ELM-b654bfa2-2
0.297
SID-ELM-8b394441-6
0.297
WIL-UNI-5578df48-9
0.296