Molecular Properties | |
SMILES: | Cc1nc(C#N)c(NCc2ccc3c(c2)OCO3)o1 |
MW: | 257.08 |
Fraction sp3: | 0.23 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 80.31 |
cLogP: | 2.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7105454976 |
MolPort: | MolPort-001-848-256 |
MAR-TRE-a3327163-70
0.514
MAR-TRE-0fda4e82-9
0.474
MAR-TRE-6c5ef77a-53
0.438
AAR-POS-d2a4d1df-31
0.431
MAR-TRE-14ce9fd6-23
0.390
MAR-TRE-fd17a9b8-13
0.388
JOH-UNI-e19b918c-4
0.387
MAR-TRE-f5c2d31c-59
0.367
JOH-IMS-0f19a540-10
0.357
LON-WEI-5e7d1b3e-10
0.347
LON-WEI-4d77710c-10
0.347
MAR-TRE-e86a56b5-54
0.342
JOH-IMS-7e73aedd-1
0.337
MAR-TRE-fd17a9b8-77
0.337
MAR-TRE-fd17a9b8-7
0.333
MAR-TRE-d0525fbf-39
0.330
MAR-TRE-36bf7dba-42
0.326
MAR-TRE-d0525fbf-52
0.320
MAR-TRE-92684b97-22
0.316
JOH-UNI-e19b918c-9
0.316
MAR-TRE-e86a56b5-80
0.312
MAR-TRE-d0525fbf-80
0.305
MAR-LAB-ff9967db-28
0.304
MAR-TRE-d3c2bf0e-27
0.304
JOH-UNI-e19b918c-8
0.304
DAV-UNK-07f953a2-3
0.302
MAK-UNK-7c9d1431-14
0.301
LON-WEI-5e7d1b3e-55
0.301
LON-WEI-4d77710c-55
0.301
MAR-TRE-d0525fbf-13
0.292
MAR-TRE-e86a56b5-96
0.289
MAR-TRE-04c86cea-98
0.288
MAR-TRE-04c86cea-37
0.288
MAR-TRE-e86a56b5-72
0.287
MAR-TRE-b77b7921-14
0.287
SAD-SAT-2ceae68f-8
0.286
MAR-TRE-e86a56b5-95
0.284
MAR-TRE-d0525fbf-40
0.283
MAR-TRE-8190bb11-17
0.283
JOH-UNI-e19b918c-3
0.283
MAR-TRE-f6f5f473-13
0.280
MAR-TRE-04c86cea-61
0.280
MAR-TRE-fd17a9b8-44
0.280
MAR-TRE-a3327163-38
0.278
MAR-TRE-d0525fbf-57
0.278
MAR-TRE-b77b7921-12
0.276
MAR-TRE-fd17a9b8-38
0.276
MAR-TRE-e86a56b5-44
0.276
MAR-TRE-b77b7921-37
0.274
KOV-VNK-5e1a909f-6
0.273
MAR-TRE-6c5ef77a-13
0.272
MAR-TRE-e86a56b5-78
0.271
JAR-KUA-8c13982c-12
0.265
MAR-TRE-d0525fbf-19
0.265
YUN-WES-58b0dbae-6
0.264
YUN-WES-85ecc354-1
0.264
MAR-TRE-b77b7921-79
0.264
MAR-TRE-b77b7921-64
0.264
ARI-TAT-5792557e-1
0.264
MAR-TRE-74c6519b-22
0.261
JOH-UNI-e19b918c-11
0.261
JOH-IMS-0f19a540-2
0.259
JOH-IMS-7e73aedd-8
0.259
MAR-TRE-f6f5f473-32
0.259
MAR-TRE-8a25d817-17
0.258
MAR-TRE-e86a56b5-4
0.257
JOH-IMS-0f19a540-3
0.253
JOH-IMS-7e73aedd-9
0.253
MAR-TRE-b77b7921-94
0.252
MAR-TRE-0fda4e82-87
0.250
MAR-TRE-b77b7921-56
0.248
JOH-IMS-7e73aedd-2
0.247
MAR-TRE-0fda4e82-86
0.245
JOH-IMS-7e73aedd-7
0.244
JOH-IMS-0f19a540-1
0.244
MAR-TRE-1c920f6f-84
0.242
MAR-TRE-a3327163-93
0.242
MAR-TRE-aca67d11-9
0.242
JOH-IMS-0f19a540-11
0.241
JOH-IMS-0f19a540-14
0.241
KOV-VNK-5e1a909f-5
0.241
LON-WEI-ff7b210a-1
0.240
KOV-VNK-5e1a909f-7
0.239
JOH-IMS-0f19a540-13
0.239
BRU-UNI-418e22dc-10
0.239
MAR-TRE-1c920f6f-87
0.237
MAR-TRE-0fda4e82-44
0.235
MAR-TRE-a3327163-74
0.234
MAR-TRE-3e4e6814-38
0.233
JOH-IMS-0f19a540-12
0.233
JOH-IMS-0f19a540-8
0.233
MAR-TRE-b77b7921-38
0.233
JOH-IMS-0f19a540-7
0.233
MAR-TRE-1c920f6f-78
0.233
MAR-TRE-6a44bbf2-60
0.232
MAR-TRE-a3327163-26
0.232
MAR-TRE-a3327163-83
0.232
MAR-TRE-a3327163-95
0.231
MAR-TRE-6c5ef77a-75
0.230
MAR-TRE-a3327163-98
0.230