Molecular Properties | |
SMILES: | COc1ccc(N(C(=O)Nc2ccccc2)c2cccnc2)cc1 |
MW: | 319.13 |
Fraction sp3: | 0.05 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 54.46 |
cLogP: | 4.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-6
0.719
WIL-UNI-5578df48-7
0.694
WIL-UNI-5578df48-39
0.597
DAR-DIA-fc970077-14
0.536
DAR-DIA-fc970077-9
0.508
WIL-UNI-5578df48-2
0.492
MAK-UNK-f0bfc2e0-1
0.474
WIL-UNI-5578df48-1
0.465
WIL-UNI-5578df48-8
0.444
AAR-POS-d2a4d1df-11
0.422
KEI-TRE-d5e2018a-27
0.405
MAR-TRE-7f7bb9f0-16
0.405
KEI-TRE-d5e2018a-92
0.402
SIM-SYN-a98e6a07-2
0.400
EMI-TUK-a58865cc-3
0.397
EMI-TUK-a58865cc-2
0.383
EMI-TUK-a58865cc-1
0.378
KEI-TRE-d5e2018a-88
0.375
MAR-TRE-74c6519b-56
0.375
BEN-BAS-3b12fa42-1
0.374
SIM-SYN-a98e6a07-1
0.374
WIL-UNI-5578df48-4
0.372
MAR-TRE-7f7bb9f0-90
0.372
KEI-TRE-d5e2018a-95
0.371
MAR-TRE-d0525fbf-92
0.371
MAR-TRE-d0525fbf-55
0.367
KEI-TRE-d5e2018a-87
0.363
ASH-UNK-40b46b30-3
0.362
WIL-UNI-5578df48-3
0.359
SAN-PRS-52b81272-3
0.357
BEN-DND-031a96cc-8
0.352
KEI-TRE-d5e2018a-64
0.352
LON-WEI-b8d98729-47
0.351
EMI-TUK-a58865cc-5
0.350
KEI-TRE-d5e2018a-80
0.349
KEI-TRE-d5e2018a-84
0.348
BRU-LEF-973da26b-1
0.348
RAL-MED-9a5eb9cb-6
0.345
BEN-BAS-e0d85f98-1
0.344
IAN-BAS-0ac8c25d-1
0.344
KEI-TRE-d5e2018a-93
0.344
RAL-MED-9a5eb9cb-7
0.341
EMI-TUK-a58865cc-7
0.341
JAC-SHE-fc18d444-1
0.341
WIL-UNI-5578df48-33
0.341
LON-WEI-d1c9908a-7
0.340
RAL-MED-9a5eb9cb-2
0.340
MED-UNK-40f14d64-1
0.340
MAR-TRE-3e4e6814-50
0.338
MIC-SGC-657978c3-5
0.337
KEI-TRE-d5e2018a-34
0.333
RIT-AID-af4ac3d4-1
0.333
MAR-TRE-2fd8122f-50
0.333
DRE-WAB-9b73098a-1
0.333
MED-UNK-cd1acb4a-1
0.333
LON-WEI-b8d98729-12
0.333
LON-WEI-b8d98729-27
0.333
SWA-SYN-59528602-2
0.333
BRU-LEF-e1854a6f-1
0.330
MAR-TRE-7f7bb9f0-6
0.330
IAN-BAS-5ff43d1c-1
0.330
RAL-MED-9a5eb9cb-14
0.330
WIL-UNI-5578df48-34
0.329
MAR-TRE-b77b7921-85
0.329
MED-UNK-55e26634-1
0.327
LON-WEI-d1c9908a-5
0.327
KEI-TRE-d5e2018a-59
0.326
MAR-TRE-67513f76-55
0.326
ALE-HEI-f28a35b5-1
0.324
TRY-UNI-714a760b-4
0.324
SID-ELM-2583a2cd-7
0.324
RAL-MED-9a5eb9cb-1
0.323
KEI-TRE-d5e2018a-67
0.322
BEN-BAS-589c65df-1
0.322
EMI-TUK-a58865cc-6
0.321
ASH-UNK-40b46b30-9
0.321
SAD-SAT-689b7d5a-4
0.321
AGN-NEW-891393a6-1
0.321
MIC-SGC-657978c3-6
0.321
MAK-UNK-129dcd6f-6
0.321
WIL-UNI-5578df48-10
0.321
LON-WEI-8f408cad-10
0.320
SAN-PRS-52b81272-2
0.319
MAR-TRE-2fd8122f-64
0.319
EMI-TUK-a58865cc-4
0.318
MIC-SGC-657978c3-7
0.317
MAR-TRE-b77b7921-82
0.316
SID-ELM-2583a2cd-6
0.315
ASH-UNK-40b46b30-1
0.315
MAR-TRE-2fd8122f-97
0.313
KEI-TRE-d5e2018a-81
0.313
ADA-UNI-f8e79267-4
0.313
RAL-MED-9a5eb9cb-4
0.313
CHR-SOS-70e4c98a-6
0.312
WIL-UNI-5578df48-37
0.312
DAR-DIA-842b4336-7
0.312
SAD-SAT-689b7d5a-8
0.310
GIA-UNK-3f36037a-7
0.309
RYA-UNI-14580791-1
0.309
SID-ELM-2583a2cd-22
0.309