MMsINC Database Search


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MMsINC code: MMs01996122

Type: Neutral
Formula: C₁₈H₁₈N₂O₄

SMILES:

O(C)c1cc(ccc1OC)CN1c2c(cc(cc2)C)\C(=N/O)\C1=O

InChI:

InChI=1/C18H18N2O4/c1-11-4-6-14-13(8-11)17(19-22)18(21)20(14)10-12-5-7-15(23-2)16(9-12)24-3/h4-9,22H,10H2,1-3H3/b19-17-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.307 kcal/mol

Physical Properties
Molecular Weight: 326.352 g/mol	logS: -4.09253	SlogP: 3.00372	Reactive groups: 0

Topological Properties
Globularity: 0.120406	Sterimol/B1: 2.51336	Sterimol/B2: 4.16117	Sterimol/B3: 5.23323
Sterimol/B4: 8.46373	Sterimol/L: 15.3253

Surface and Volume Properties
Accessible surface: 568.764	Positive charged surface: 395.633	Negative charged surface: 173.13	Volume: 310.125
Hydrophobic surface: 429.066	Hydrophilic surface: 139.698

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.