MMsINC Database Search


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MMsINC code: MMs00350366

Type: Neutral
Formula: C₂₀H₁₅NO₃

SMILES:

o1c2cc(NC(=O)c3ccccc3OC)ccc2c2c1cccc2

InChI:

InChI=1/C20H15NO3/c1-23-17-8-4-3-7-16(17)20(22)21-13-10-11-15-14-6-2-5-9-18(14)24-19(15)12-13/h2-12H,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.2343 kcal/mol

Physical Properties
Molecular Weight: 317.344 g/mol	logS: -6.69726	SlogP: 4.8469	Reactive groups: 0

Topological Properties
Globularity: 0.0163019	Sterimol/B1: 2.26737	Sterimol/B2: 2.40216	Sterimol/B3: 3.4126
Sterimol/B4: 7.41371	Sterimol/L: 17.8961

Surface and Volume Properties
Accessible surface: 566.867	Positive charged surface: 340.591	Negative charged surface: 213.513	Volume: 302.75
Hydrophobic surface: 518.538	Hydrophilic surface: 48.329

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.