Molecular Properties | |
SMILES: | Cn1ncc2c(=O)[nH]c(CN3CCCC(C(=O)c4ccccn4)C3)nc21 |
MW: | 352.16 |
Fraction sp3: | 0.39 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 96.77 |
cLogP: | 1.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2287074987 |
MolPort: | MolPort-039-038-119 |
keto_def_heterocycle
Ketone
MAR-TRE-c8530538-99
0.632
MAR-TRE-2fd8122f-80
0.362
WIL-UNI-2a57d06c-41
0.301
MAR-TRE-c8530538-63
0.297
MAR-TRE-c8530538-59
0.286
NJA-MAN-00c90aa2-63
0.265
NJA-MAN-00c90aa2-62
0.256
NJA-MAN-00c90aa2-47
0.250
MAR-TRE-2fd8122f-30
0.246
MAR-TRE-f6f5f473-6
0.242
MAR-TRE-dab8f6ea-47
0.241
BRU-UNI-248b30bc-16
0.240
NJA-MAN-00c90aa2-54
0.239
JON-UNI-93996c9d-12
0.239
MAR-TRE-d0525fbf-100
0.238
NJA-MAN-00c90aa2-48
0.237
JOR-UNI-61e7b1d5-31
0.236
NJA-MAN-00c90aa2-2
0.235
MAR-TRE-c8530538-68
0.233
NJA-MAN-00c90aa2-27
0.233
NJA-MAN-00c90aa2-36
0.233
NJA-MAN-00c90aa2-53
0.231
NJA-MAN-00c90aa2-56
0.231
RED-RED-10c9212c-43
0.231
NJA-MAN-00c90aa2-9
0.231
MAR-TRE-2fd8122f-8
0.231
MAR-TRE-c8530538-71
0.230
MAR-TRE-fd17a9b8-5
0.229
NJA-MAN-00c90aa2-59
0.229
JON-UNI-93996c9d-5
0.229
MAT-POS-ea426761-33
0.228
NJA-MAN-b8640440-36
0.227
NJA-MAN-00c90aa2-46
0.227
MAR-TRE-c8530538-78
0.227
JON-UNI-93996c9d-4
0.227
MAR-TRE-c8530538-47
0.226
JAR-KUA-8c13982c-13
0.225
NJA-MAN-b8640440-12
0.225
JON-UNI-93996c9d-6
0.225
NJA-MAN-00c90aa2-58
0.225
COM-UCB-1ef4e90e-19
0.225
DRR-IMP-38dce17f-5
0.224
NJA-MAN-b8640440-41
0.224
MAR-TRE-c8530538-4
0.224
JOR-UNI-61e7b1d5-25
0.223
MAR-TRE-c8530538-10
0.222
NJA-MAN-00c90aa2-1
0.222
NJA-MAN-00c90aa2-8
0.222
NJA-MAN-00c90aa2-13
0.222
WIL-UNI-5578df48-30
0.222
NJA-MAN-b8640440-8
0.221
NJA-MAN-b8640440-34
0.221
ROM-UNK-ef52a3c9-2
0.221
NJA-MAN-00c90aa2-41
0.220
RIC-ARG-a8e88843-1
0.219
NJA-MAN-b8640440-35
0.219
AGN-NEW-817c14da-2
0.219
JOR-UNI-61e7b1d5-29
0.219
MAR-TRE-c8530538-50
0.218
MAR-TRE-c8530538-94
0.218
JON-UNI-93996c9d-3
0.217
NJA-MAN-b8640440-50
0.217
JOR-UNI-61e7b1d5-27
0.217
RED-RED-10c9212c-55
0.217
NJA-MAN-00c90aa2-50
0.217
NJA-MAN-00c90aa2-52
0.217
HAO-BIO-c9aafde3-7
0.216
NJA-MAN-00c90aa2-35
0.216
NJA-MAN-00c90aa2-66
0.216
NJA-MAN-00c90aa2-57
0.215
NJA-MAN-00c90aa2-61
0.215
NJA-MAN-00c90aa2-65
0.215
MAR-TRE-3159af1a-20
0.215
MAR-TRE-dab8f6ea-45
0.214
JON-UIO-066ce08b-3
0.214
MAR-LAB-ff9967db-15
0.214
NJA-MAN-00c90aa2-4
0.214
NJA-MAN-00c90aa2-22
0.214
MAR-TRE-c8530538-79
0.214
NJA-MAN-00c90aa2-14
0.214
NJA-MAN-00c90aa2-43
0.214
MAR-TRE-3159af1a-80
0.214
NJA-MAN-00c90aa2-42
0.214
NJA-MAN-b8640440-22
0.214
NIC-BIO-96ee2ca4-1
0.213
NJA-MAN-00c90aa2-49
0.213
MAR-TRE-c8530538-98
0.212
NJA-MAN-00c90aa2-44
0.212
MAR-TRE-2fd8122f-64
0.212
MAR-TRE-c8530538-21
0.212
MAR-TRE-c8530538-40
0.212
MAR-TRE-dab8f6ea-26
0.212
NJA-MAN-00c90aa2-18
0.212
NJA-MAN-00c90aa2-31
0.212
JOR-UNI-61e7b1d5-11
0.212
JON-UNI-93996c9d-1
0.212
MAR-TRE-c8530538-58
0.211
MAR-TRE-67513f76-77
0.211
MAR-TRE-d0525fbf-54
0.211
JOR-UNI-61e7b1d5-15
0.211