MMsINC Database Search


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MMsINC code: MMs02698552

Type: Neutral
Formula: C₂₀H₁₅NO₄

SMILES:

O1c2cc(C(=O)C)c(NC(=O)c3cc4c(cc3)cccc4)cc2OC1

InChI:

InChI=1/C20H15NO4/c1-12(22)16-9-18-19(25-11-24-18)10-17(16)21-20(23)15-7-6-13-4-2-3-5-14(13)8-15/h2-10H,11H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.411 kcal/mol

Physical Properties
Molecular Weight: 333.343 g/mol	logS: -5.50012	SlogP: 4.0234	Reactive groups: 0

Topological Properties
Globularity: 0.0222074	Sterimol/B1: 2.41204	Sterimol/B2: 2.45799	Sterimol/B3: 3.55326
Sterimol/B4: 8.1544	Sterimol/L: 17.0684

Surface and Volume Properties
Accessible surface: 560.335	Positive charged surface: 318.586	Negative charged surface: 230.935	Volume: 307
Hydrophobic surface: 447.63	Hydrophilic surface: 112.705

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.