Molecular Properties | |
SMILES: | O=C1NC(=S)N[C@H]1Cc1ccc2c(c1)OCO2 |
MW: | 250.04 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 59.59 |
cLogP: | 0.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Thiocarbonyl group
Heteroatom-bonded thiocarbonyls
Thiocarbonyls
26
thiourea
Thiocarbonyl_group
JOH-UNI-e19b918c-9
0.422
JOH-IMS-0f19a540-10
0.387
JOH-UNI-e19b918c-8
0.382
JOH-UNI-e19b918c-4
0.377
AAR-POS-d2a4d1df-31
0.362
JOH-IMS-7e73aedd-1
0.360
MAR-TRE-fd17a9b8-38
0.360
MAR-TRE-e86a56b5-4
0.356
SAD-SAT-2ceae68f-8
0.356
MAR-TRE-e86a56b5-54
0.347
JOH-UNI-e19b918c-3
0.346
MAR-TRE-d3c2bf0e-27
0.343
MAR-TRE-fd17a9b8-77
0.342
MAK-UNK-7c9d1431-14
0.338
JOH-UNI-e19b918c-11
0.338
MAR-TRE-e86a56b5-72
0.330
MAR-TRE-e86a56b5-80
0.330
MAR-TRE-e86a56b5-78
0.329
MAR-TRE-e86a56b5-95
0.329
MAR-TRE-f5c2d31c-59
0.326
MAR-TRE-fd17a9b8-13
0.325
MAR-TRE-fd17a9b8-7
0.321
MAR-TRE-e86a56b5-44
0.318
JOH-IMS-0f19a540-13
0.316
MAR-TRE-8190bb11-17
0.313
MAT-POS-b5746674-52
0.312
LON-WEI-ff7b210a-1
0.304
LON-WEI-5e7d1b3e-55
0.302
LON-WEI-4d77710c-55
0.302
MAR-TRE-36bf7dba-42
0.298
MAR-TRE-14ce9fd6-23
0.296
MAR-TRE-fd17a9b8-44
0.293
MAR-TRE-0fda4e82-9
0.293
MAR-TRE-92684b97-22
0.290
MAR-TRE-a3327163-47
0.289
JOH-IMS-0f19a540-3
0.288
JOH-IMS-7e73aedd-9
0.288
MAR-TRE-6c5ef77a-13
0.288
MAR-TRE-b77b7921-14
0.287
MAR-TRE-dab8f6ea-22
0.287
YUN-WES-58b0dbae-6
0.286
YUN-WES-85ecc354-1
0.286
JOH-IMS-0f19a540-11
0.286
FAR-UNI-9a76d7b5-3
0.282
AAR-POS-fca48359-13
0.282
MAR-TRE-d0525fbf-52
0.281
MAR-TRE-04c86cea-61
0.280
MAR-TRE-d0525fbf-39
0.278
JOH-IMS-7e73aedd-2
0.278
MAR-TRE-d0525fbf-19
0.277
JOH-IMS-0f19a540-7
0.276
NJA-MAN-b9fb953f-2
0.276
MAR-TRE-b77b7921-94
0.276
JOH-IMS-7e73aedd-8
0.274
JOH-IMS-0f19a540-2
0.274
JOH-IMS-0f19a540-14
0.269
MAR-TRE-aca67d11-9
0.268
LON-WEI-4d77710c-10
0.268
LON-WEI-5e7d1b3e-10
0.268
ANT-OPE-22dd17b6-1
0.268
JOH-UNI-e19b918c-6
0.267
MAR-TRE-f6f5f473-13
0.267
BRU-UNI-418e22dc-10
0.266
MAR-TRE-b77b7921-79
0.263
MAR-TRE-b77b7921-12
0.263
MAR-TRE-b77b7921-64
0.263
MAR-TRE-04c86cea-98
0.263
MAR-TRE-04c86cea-37
0.263
KOV-VNK-5e1a909f-5
0.262
MAR-TRE-b77b7921-37
0.260
KOV-VNK-5e1a909f-6
0.260
JOH-IMS-0f19a540-8
0.259
JOH-IMS-0f19a540-12
0.259
KOV-VNK-5e1a909f-7
0.259
MAR-TRE-b77b7921-56
0.257
MAR-TRE-d0525fbf-40
0.257
JOH-IMS-7e73aedd-7
0.257
JOH-IMS-0f19a540-1
0.257
MAR-TRE-f6f5f473-32
0.257
MAR-TRE-8a25d817-17
0.256
MAR-TRE-9d18ae8c-66
0.256
MAR-TRE-4f781e27-53
0.256
MAR-TRE-d0525fbf-13
0.255
MAR-TRE-d0525fbf-80
0.255
MAR-TRE-e86a56b5-65
0.254
ANT-OPE-224c11b5-1
0.253
AAR-POS-0daf6b7e-43
0.253
MAR-TRE-d0525fbf-57
0.252
DAV-UNK-07f953a2-3
0.252
MAR-TRE-74c6519b-22
0.248
ANT-OPE-42b176cc-2
0.247
MAR-TRE-7f7bb9f0-28
0.245
MAR-TRE-a9136c7b-71
0.239
CHR-UNL-7577488f-1
0.238
MAR-LAB-ff9967db-28
0.237
JAR-KUA-8c13982c-12
0.237
BRU-UNI-248b30bc-44
0.236
JOH-IMS-0f19a540-9
0.235
MAR-TRE-6a44bbf2-94
0.234
MAR-TRE-fffca54f-95
0.233