MMsINC Database Search


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MMsINC code: MMs03755738

Type: Neutral
Formula: C₂₀H₁₂N₂O₃

SMILES:

Oc1cc2c3c4c(c(cc3[nH]c2cc1)-c1ccccc1)C(=O)NC4=O

InChI:

InChI=1/C20H12N2O3/c23-11-6-7-14-13(8-11)16-15(21-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)22-19(17)24/h1-9,21,23H,(H,22,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.0486 kcal/mol

Physical Properties
Molecular Weight: 328.327 g/mol	logS: -6.24173	SlogP: 3.5773	Reactive groups: 0

Topological Properties
Globularity: 0.0252416	Sterimol/B1: 2.95199	Sterimol/B2: 3.01652	Sterimol/B3: 3.85498
Sterimol/B4: 6.21722	Sterimol/L: 16.2338

Surface and Volume Properties
Accessible surface: 530.844	Positive charged surface: 285.189	Negative charged surface: 230.371	Volume: 295.5
Hydrophobic surface: 349.257	Hydrophilic surface: 181.587

Pharmacophoric Properties
Hydrogen bond donors: 3	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.