Molecular Properties | |
SMILES: | COCCn1cc(CCNC(=O)c2ccncc2)c2cccnc21 |
MW: | 324.16 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 69.04 |
cLogP: | 2.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
dyes5A(27)
MAR-TRE-3159af1a-3
0.725
MAR-TRE-3159af1a-38
0.720
MAR-TRE-3159af1a-34
0.718
MAR-TRE-3159af1a-94
0.716
MAR-TRE-3159af1a-98
0.707
MAR-TRE-3159af1a-25
0.699
MAR-TRE-3159af1a-68
0.663
MAR-TRE-3159af1a-30
0.596
MAR-TRE-3159af1a-55
0.593
MAR-TRE-3159af1a-12
0.589
MAR-TRE-3159af1a-64
0.581
MAR-TRE-3159af1a-15
0.576
MAR-TRE-3159af1a-13
0.518
MAR-TRE-3159af1a-100
0.518
MAR-TRE-3159af1a-14
0.512
MAR-TRE-3159af1a-73
0.512
MAR-TRE-3159af1a-5
0.500
MAR-TRE-3159af1a-4
0.495
MAR-TRE-3159af1a-18
0.489
MAR-TRE-3159af1a-49
0.483
MAR-TRE-3159af1a-97
0.473
MAR-TRE-3159af1a-47
0.473
MAR-TRE-3159af1a-85
0.473
MAR-TRE-3159af1a-59
0.458
MAR-TRE-3159af1a-22
0.457
MAR-TRE-3159af1a-46
0.454
MAR-TRE-3159af1a-96
0.424
MAR-TRE-3159af1a-53
0.368
MAT-POS-ea426761-86
0.340
ROM-UNK-ef52a3c9-4
0.290
MAR-TRE-7f7bb9f0-39
0.286
DUN-NEW-f8ce3686-6
0.274
DUN-NEW-f8ce3686-8
0.271
MAK-UNK-10572812-14
0.268
MAR-TRE-9c797165-74
0.264
DUN-NEW-f8ce3686-7
0.263
MAT-POS-91829f0d-1
0.262
MAR-UCB-f313ec4d-2
0.262
MAR-TRE-3e4e6814-18
0.257
MAT-POS-54c4bf04-2
0.257
MAR-TRE-4b834d9a-8
0.255
MAR-TRE-d0525fbf-23
0.255
RED-RED-10c9212c-49
0.252
BAR-COM-0f94fc3d-57
0.252
MAR-TRE-9c797165-78
0.252
MAR-TRE-9c797165-25
0.252
DUN-NEW-f8ce3686-5
0.252
DUN-NEW-f8ce3686-9
0.250
MAR-TRE-be9ff7d2-73
0.250
MAR-TRE-3159af1a-57
0.250
MAR-TRE-67513f76-18
0.250
MAK-UNK-37f1d6fa-7
0.248
MAR-TRE-4b834d9a-3
0.248
MAR-TRE-d0525fbf-28
0.248
MAR-TRE-4b834d9a-39
0.248
MAR-TRE-799db12b-2
0.248
MAK-UNK-10dfa458-35
0.247
MAK-UNK-2c1752f0-1
0.247
MAR-TRE-c8530538-97
0.245
MAR-TRE-3e4e6814-64
0.245
DUN-NEW-f8ce3686-13
0.245
MAT-POS-916a2c5a-2
0.245
MAR-TRE-a9136c7b-80
0.245
PET-SGC-708ec5d8-1
0.245
MAR-TRE-2fd8122f-12
0.243
ALP-POS-05819dc4-1
0.243
JUL-TUD-06b2044f-129
0.243
MAR-TRE-66ac689e-91
0.243
MAR-TRE-4f781e27-23
0.243
MAR-TRE-9c797165-17
0.242
MAR-TRE-f6f5f473-1
0.241
MAR-TRE-3e4e6814-72
0.241
MAR-TRE-3159af1a-69
0.241
MAR-TRE-d0525fbf-43
0.241
MAR-TRE-4b834d9a-2
0.241
JUL-TUD-06b2044f-35
0.241
MAR-TRE-7f7bb9f0-17
0.240
MAR-TRE-b77b7921-54
0.240
MAT-POS-b5746674-31
0.240
SID-ELM-1f105489-3
0.240
MAT-POS-b5746674-106
0.239
MAR-TRE-4b834d9a-7
0.238
MAR-TRE-4f781e27-81
0.238
PET-UNK-752bebd6-1
0.238
MAR-TRE-3e4e6814-90
0.236
MAR-TRE-92684b97-67
0.235
MAT-POS-8fd29122-1
0.235
MAR-TRE-3159af1a-58
0.235
MAR-TRE-be9ff7d2-40
0.235
MAR-TRE-74c6519b-39
0.234
MAR-TRE-4b834d9a-99
0.234
NIC-BIO-2722da07-1
0.234
MAR-TRE-f6f5f473-42
0.233
GIA-UNK-d2defdc3-2
0.233
LON-WEI-5e7d1b3e-48
0.233
LON-WEI-4d77710c-48
0.233
MAK-UNK-10dfa458-36
0.232
MAR-TRE-b77b7921-50
0.232
SAN-PRS-3c4a6997-3
0.232
MAR-TRE-b77b7921-11
0.231