Molecular Properties | |
SMILES: | O=C(NC(Cc1ccccc1)C(=O)N1CCOCC1)C(c1ccccc1)c1ccc2ccccc2c1 |
MW: | 478.23 |
Fraction sp3: | 0.23 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 58.64 |
cLogP: | 4.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 11
AAR-POS-d2a4d1df-1
GIA-UNK-7337c2f3-15
0.327
BAR-COM-4e090d3a-56
0.314
GIA-UNK-3f36037a-6
0.309
PAT-GYR-de8eec61-1
0.305
MAR-TRE-66ac689e-61
0.301
MAR-TRE-0fda4e82-37
0.295
MAR-SOS-82e3a7c7-3
0.282
BAR-COM-4e090d3a-45
0.282
MAR-SOS-c7881798-12
0.282
TAM-UNI-d1c3dd9f-21
0.280
MAR-TRE-be9ff7d2-16
0.280
MAR-SOS-c7881798-1
0.279
MAR-SOS-82e3a7c7-11
0.279
MAK-UNK-f983951f-22
0.278
ALP-POS-bad7201a-8
0.277
PAT-GYR-de8eec61-3
0.277
PAT-GYR-de8eec61-7
0.275
PAT-GYR-de8eec61-4
0.275
MAR-SOS-82e3a7c7-12
0.273
MAR-SOS-c7881798-4
0.273
MAR-SOS-c7881798-7
0.269
MAR-SOS-82e3a7c7-4
0.269
JUA-UNI-b93289a4-6
0.268
MAR-TRE-9d18ae8c-28
0.265
ARI-TAT-5792557e-29
0.264
SHA-THE-408e7524-8
0.262
SER-UNI-400afb01-4
0.261
WIL-LEE-1f71e281-4
0.260
FAR-UNI-a04c1544-1
0.260
DAR-DIA-03336633-10
0.259
MAR-TRE-92684b97-2
0.257
JAN-GHE-f375bf5b-1
0.256
GIA-UNK-d2defdc3-5
0.255
BAR-COM-4e090d3a-7
0.255
PET-UNK-1320d94d-3
0.254
PET-UNK-1320d94d-4
0.254
MAR-TRE-9d18ae8c-60
0.252
MAR-SOS-c7881798-10
0.252
MAR-SOS-82e3a7c7-5
0.252
NIM-UNI-ed9fc491-3
0.252
PAT-GYR-359dbb24-2
0.250
WIL-LEE-23e8b574-8
0.250
JUA-UNI-b93289a4-7
0.250
GIA-UNK-3f36037a-2
0.250
ARI-TAT-5792557e-28
0.250
MAK-UNK-a7992eb3-18
0.248
MAR-SOS-82e3a7c7-2
0.248
MAR-SOS-c7881798-3
0.248
MAK-UNK-c44f4be0-10
0.248
GIA-UNK-eaadd1d4-3
0.248
PET-UNK-1320d94d-13
0.246
PET-UNK-1320d94d-14
0.246
BEN-DND-93268d01-14
0.245
WIL-LEE-23e8b574-1
0.245
MAR-SOS-c7881798-2
0.244
MAR-SOS-82e3a7c7-1
0.244
SAL-INS-68b48d12-2
0.244
PAT-GYR-de8eec61-6
0.243
TAM-UNI-d1c3dd9f-12
0.243
AAR-POS-d2a4d1df-21
0.242
PAT-GYR-359dbb24-1
0.242
SAL-INS-68b48d12-4
0.241
PET-UNK-1320d94d-23
0.241
PET-UNK-1320d94d-24
0.241
MAR-TRE-c317dd82-96
0.240
DRR-IMP-db50bf6e-2
0.240
ALP-POS-0c0a3b93-1
0.240
NIM-UNI-ed9fc491-4
0.240
AAR-POS-fca48359-12
0.239
PAT-GYR-de8eec61-2
0.239
FAR-UNI-9a76d7b5-1
0.239
WIL-LEE-1f71e281-1
0.239
JUA-UNI-a9dfaed1-7
0.237
SAL-INS-68b48d12-12
0.237
SAM-UNK-2684b532-1
0.236
BAR-COM-4e090d3a-19
0.236
MAR-SOS-82e3a7c7-10
0.236
MAR-SOS-c7881798-11
0.236
MAR-TRE-e86a56b5-77
0.236
GIA-UNK-d2defdc3-6
0.235
MAR-TRE-e86a56b5-55
0.235
MAK-UNK-be3f299e-5
0.234
MAK-UNK-10799360-19
0.233
RAM-SYN-2a37ce6c-1
0.233
PAT-GYR-359dbb24-4
0.233
JUA-UNI-a9dfaed1-6
0.233
PET-SGC-cb83a00c-1
0.233
DAR-DIA-8e329c92-8
0.233
ROD-UFR-93b30032-1
0.232
FAR-UNI-124f5ee8-1
0.232
MAT-POS-b5746674-124
0.232
LUI-IND-a1be81af-2
0.232
DAV-UNK-d94803a2-1
0.232
MAR-TRE-e86a56b5-25
0.231
SAL-INS-a5f8a8b9-2
0.231
MAR-SOS-c7881798-9
0.231
MAR-SOS-82e3a7c7-9
0.231
PAT-GYR-de8eec61-5
0.230
SAL-INS-68b48d12-3
0.230
IAN-BAS-647c7407-1
0.230