MMsINC Database Search


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MMsINC code: MMs00111491

Type: Neutral
Formula: C₂₀H₁₈N₂O₂

SMILES:

O(C)c1cc(ccc1)C(=O)Nc1ccc(cc1)Cc1ccncc1

InChI:

InChI=1/C20H18N2O2/c1-24-19-4-2-3-17(14-19)20(23)22-18-7-5-15(6-8-18)13-16-9-11-21-12-10-16/h2-12,14H,13H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.9065 kcal/mol

Physical Properties
Molecular Weight: 318.376 g/mol	logS: -4.26349	SlogP: 3.93327	Reactive groups: 0

Topological Properties
Globularity: 0.0388063	Sterimol/B1: 2.78343	Sterimol/B2: 3.82474	Sterimol/B3: 3.85859
Sterimol/B4: 5.20181	Sterimol/L: 18.937

Surface and Volume Properties
Accessible surface: 588.973	Positive charged surface: 399.82	Negative charged surface: 189.153	Volume: 316.25
Hydrophobic surface: 524.214	Hydrophilic surface: 64.759

Pharmacophoric Properties
Hydrogen bond donors: 1	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.