Molecular Properties | |
SMILES: | O=C(O)[C@H](Cc1ccc(O)cc1)N1Cc2ccccc2C1=O |
MW: | 297.1 |
Fraction sp3: | 0.18 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 77.84 |
cLogP: | 2.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9119135377 |
MAR-TRE-e86a56b5-84
0.703
MAR-TRE-e86a56b5-11
0.532
LON-WEI-5e7d1b3e-19
0.477
LON-WEI-4d77710c-19
0.477
MAR-TRE-e86a56b5-50
0.429
MAR-TRE-e86a56b5-21
0.420
MAR-TRE-e86a56b5-6
0.400
MAR-TRE-e86a56b5-15
0.400
MAR-TRE-e86a56b5-37
0.394
LON-WEI-b2874fec-22
0.386
LON-WEI-b2874fec-15
0.385
MAR-TRE-e86a56b5-39
0.382
LON-WEI-b2874fec-20
0.361
LON-WEI-b2874fec-19
0.361
MAT-POS-ea426761-62
0.358
LON-WEI-b2874fec-16
0.357
LON-WEI-b2874fec-18
0.357
MAR-TRE-4f39ef4a-40
0.351
LON-WEI-b2874fec-24
0.341
LON-WEI-f8a636e2-1
0.341
MAR-TRE-e86a56b5-62
0.338
LON-WEI-b2874fec-21
0.337
LON-WEI-b2874fec-27
0.333
MAR-TRE-f6f5f473-31
0.330
LON-WEI-b2874fec-25
0.330
LON-WEI-b2874fec-17
0.326
MAR-TRE-e86a56b5-97
0.325
LON-WEI-b2874fec-26
0.323
LON-WEI-b2874fec-23
0.322
MAR-TRE-e86a56b5-66
0.320
MAR-TRE-e86a56b5-45
0.319
MAR-TRE-e86a56b5-56
0.319
MAR-TRE-fffca54f-96
0.313
MAR-TRE-e86a56b5-63
0.313
MAR-TRE-e86a56b5-25
0.313
MAR-TRE-e86a56b5-69
0.311
MAR-TRE-e86a56b5-47
0.310
MAR-TRE-e86a56b5-98
0.306
MAR-TRE-e86a56b5-99
0.300
MAR-TRE-4f39ef4a-52
0.296
MAR-TRE-e86a56b5-74
0.295
MAR-TRE-e86a56b5-28
0.295
MAR-TRE-74c6519b-63
0.294
EDJ-MED-c292668a-1
0.293
MAR-TRE-e86a56b5-55
0.291
MAR-TRE-e86a56b5-58
0.290
MAR-TRE-e86a56b5-67
0.289
HAO-BIO-c9aafde3-8
0.280
MAR-TRE-e86a56b5-81
0.280
MAR-TRE-85681e92-70
0.280
MAR-TRE-e86a56b5-31
0.280
MAR-TRE-ebcc4ad6-35
0.274
MAR-TRE-e86a56b5-77
0.274
MAR-TRE-74c6519b-42
0.273
MAR-TRE-e86a56b5-19
0.272
LON-WEI-ff7b210a-1
0.268
NIC-BIO-a68395b7-1
0.264
NIM-UNI-ed9fc491-3
0.263
MAR-TRE-e86a56b5-46
0.263
MAR-TRE-e86a56b5-73
0.259
MAR-TRE-4f39ef4a-25
0.258
NIM-UNI-ed9fc491-1
0.256
MAR-TRE-d3c2bf0e-8
0.254
MAR-TRE-e86a56b5-36
0.253
NIM-UNI-ed9fc491-4
0.248
TRY-UNI-9f475305-10
0.247
MAR-TRE-e86a56b5-2
0.247
AAR-POS-d2a4d1df-16
0.247
MAR-TRE-e86a56b5-57
0.247
MAK-UNK-10799360-26
0.245
MAK-UNK-c44f4be0-3
0.245
MAK-UNK-c44f4be0-7
0.245
MAR-TRE-e86a56b5-30
0.244
MAR-TRE-e86a56b5-53
0.244
VOL-CHA-d666e5ae-4
0.244
TRY-UNI-9f475305-11
0.244
MAR-TRE-e86a56b5-65
0.242
NIC-BIO-a68395b7-4
0.241
MAR-TRE-85681e92-51
0.241
NIM-UNI-ed9fc491-2
0.239
MED-COV-4280ac29-2
0.239
MAR-TRE-4f39ef4a-10
0.238
MAK-UNK-c44f4be0-8
0.238
MAR-TRE-e86a56b5-42
0.237
MAK-UNK-c44f4be0-9
0.235
MAR-UCB-195bc32d-43
0.233
NIC-BIO-a68395b7-2
0.233
MAR-TRE-4f39ef4a-44
0.232
VOL-CHA-d666e5ae-5
0.232
MAK-UNK-c44f4be0-10
0.232
AAR-POS-0daf6b7e-14
0.229
SEA-TRI-8252c13b-1
0.228
NAM-UNK-f7c77a48-3
0.228
MIH-UNI-e573136b-10
0.227
VOL-CHA-d666e5ae-1
0.227
NIC-BIO-a68395b7-3
0.226
NIC-BIO-a68395b7-5
0.226
MAR-TRE-66ac689e-9
0.225
MAR-SOS-82e3a7c7-11
0.225
MAR-SOS-c7881798-1
0.225