MMsINC Database Search


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MMsINC code: MMs00818696

Type: Neutral
Formula: C₂₀H₁₃NO₃

SMILES:

O(c1c2c(ccc1)C(=O)c1c(cccc1N)C2=O)c1ccccc1

InChI:

InChI=1/C20H13NO3/c21-15-10-4-8-13-17(15)19(22)14-9-5-11-16(18(14)20(13)23)24-12-6-2-1-3-7-12/h1-11H,21H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.6 kcal/mol

Physical Properties
Molecular Weight: 315.328 g/mol	logS: -5.38859	SlogP: 3.8365	Reactive groups: 0

Topological Properties
Globularity: 0.103886	Sterimol/B1: 3.00011	Sterimol/B2: 3.77138	Sterimol/B3: 4.81517
Sterimol/B4: 7.81658	Sterimol/L: 13.8363

Surface and Volume Properties
Accessible surface: 522.082	Positive charged surface: 298.431	Negative charged surface: 223.651	Volume: 292.25
Hydrophobic surface: 423.065	Hydrophilic surface: 99.017

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.