Molecular Properties | |
SMILES: | O=C(CCn1cnc2ccccc21)Nc1cccc2ncccc12 |
MW: | 316.13 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 59.81 |
cLogP: | 3.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z109225486 |
Enamine REAL: | Z109225486 |
Mcule: | MCULE-2419940689 |
Mcule Ultimate: | JKYFCCAVJWMACU-UHFFFAOYSA-N |
MolPort: | MolPort-009-385-218 |
MAR-TRE-3e4e6814-41
0.432
BEN-DND-61647d40-13
0.400
BEN-DND-02317c5c-11
0.400
JIN-POS-6dc588a4-1
0.400
MAR-TRE-3e4e6814-61
0.374
WIL-UNI-d4749f31-36
0.354
WIL-UNI-2a57d06c-2
0.354
COM-UCB-8c7d23dc-8
0.351
BEN-DND-61647d40-3
0.340
BAR-COM-0f94fc3d-57
0.330
TAT-ENA-80bfd3e5-12
0.321
MAR-TRE-4b834d9a-97
0.320
KEI-TRE-d5e2018a-68
0.319
MAR-TRE-a9136c7b-45
0.316
ALP-POS-bad7201a-4
0.310
MAT-POS-162a9720-10
0.305
MAT-POS-f7918075-3
0.295
MIC-UNK-08cd9c58-1
0.295
COM-UCB-1ef4e90e-1
0.290
SID-ELM-2583a2cd-20
0.289
MAR-TRE-9c797165-87
0.287
IAN-BAS-5394d4c4-1
0.286
SID-ELM-2583a2cd-21
0.284
AAR-UNI-c25c2f1e-55
0.283
DAR-DIA-ecdbc7dd-6
0.282
MAR-TRE-92684b97-49
0.282
ALP-POS-8ed8d9ec-7
0.282
PET-UNK-7374c256-1
0.282
MAR-TRE-f6f5f473-18
0.279
BAR-COM-0f94fc3d-10
0.278
GAB-REV-70cc3ca5-4
0.278
DAR-DIA-ecdbc7dd-1
0.276
MAR-TRE-0fda4e82-70
0.276
MAR-TRE-7f7bb9f0-96
0.270
MAR-TRE-67513f76-54
0.270
SIM-DEM-2843056b-7
0.269
JAN-GHE-5a013bed-2
0.269
MAR-TRE-9c797165-95
0.267
MAR-TRE-f6f5f473-27
0.267
SIM-DEM-2843056b-1
0.267
SIM-DEM-2843056b-6
0.267
MIZ-UNK-e844285e-1
0.264
SIM-DEM-2843056b-3
0.262
DUN-NEW-f8ce3686-6
0.261
DUN-NEW-f8ce3686-7
0.261
BAR-COM-0f94fc3d-12
0.258
MAR-TRE-1c920f6f-3
0.255
JAN-GHE-f4ca5a00-7
0.255
MAR-TRE-74c6519b-95
0.255
MAR-TRE-3e4e6814-5
0.253
MAR-TRE-04c86cea-68
0.252
MAR-TRE-3e4e6814-55
0.250
MAR-TRE-0fda4e82-58
0.250
MAR-TRE-b77b7921-54
0.250
AAR-UNI-c25c2f1e-5
0.250
BAR-COM-0f94fc3d-32
0.250
MAR-TRE-f6f5f473-35
0.248
MAT-POS-3b92565d-10
0.248
MAR-TRE-3e4e6814-53
0.248
MAR-TRE-3159af1a-14
0.248
MAR-TRE-1c920f6f-74
0.247
MAT-POS-06036648-8
0.245
KEI-TRE-d5e2018a-74
0.245
MAR-TRE-3e4e6814-14
0.243
MAR-TRE-3159af1a-85
0.243
MAR-TRE-74c6519b-78
0.243
GAB-REV-70cc3ca5-10
0.243
MAR-TRE-d0525fbf-82
0.242
SID-ELM-8b394441-9
0.242
WIL-UNI-2a57d06c-38
0.240
LON-WEI-5e7d1b3e-21
0.240
LON-WEI-4d77710c-21
0.240
MAR-TRE-67513f76-30
0.240
SID-ELM-8b394441-20
0.240
MAR-TRE-3e4e6814-81
0.240
MAR-TRE-0fda4e82-89
0.240
MAR-TRE-92684b97-90
0.240
JAN-GHE-f4ca5a00-9
0.238
BAR-COM-0f94fc3d-42
0.238
MAR-TRE-3159af1a-18
0.238
MAR-TRE-0fda4e82-90
0.238
RAL-THA-2d450e86-21
0.238
AAR-POS-0daf6b7e-20
0.237
MAT-POS-bfb445d4-1
0.237
BEN-DND-61647d40-12
0.237
MAT-POS-3b92565d-14
0.237
BEN-DND-02317c5c-12
0.237
ALP-POS-bad7201a-7
0.237
MAR-TRE-4b834d9a-29
0.237
MAR-TRE-3159af1a-59
0.236
KRI-MAR-d2e3ef86-2
0.236
BAR-COM-0f94fc3d-14
0.235
MAR-TRE-3e4e6814-31
0.235
MAR-TRE-74c6519b-73
0.235
MAR-TRE-f6f5f473-94
0.235
MAR-TRE-3e4e6814-32
0.234
MAR-TRE-3159af1a-46
0.234
MAR-TRE-74c6519b-27
0.234
MAR-TRE-4b834d9a-39
0.233
MAR-TRE-a3327163-92
0.233