MMsINC Database Search


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MMsINC code: MMs01935942

Type: Neutral
Formula: C₁₈H₁₈N₂O₃

SMILES:

O(C)c1cc2cc([nH]c2cc1OC)C(=O)NCc1ccccc1

InChI:

InChI=1/C18H18N2O3/c1-22-16-9-13-8-15(20-14(13)10-17(16)23-2)18(21)19-11-12-6-4-3-5-7-12/h3-10,20H,11H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6814 kcal/mol

Physical Properties
Molecular Weight: 310.353 g/mol	logS: -3.84249	SlogP: 3.3815	Reactive groups: 0

Topological Properties
Globularity: 0.0351221	Sterimol/B1: 3.29557	Sterimol/B2: 3.61819	Sterimol/B3: 3.62041
Sterimol/B4: 7.38486	Sterimol/L: 17.7815

Surface and Volume Properties
Accessible surface: 588.497	Positive charged surface: 393.87	Negative charged surface: 188.651	Volume: 300.75
Hydrophobic surface: 494.824	Hydrophilic surface: 93.673

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.