MMsINC Database Search


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MMsINC code: MMs01974860

Type: Neutral
Formula: C₂₀H₁₄N₂O₃

SMILES:

O=C1NC(=O)c2c1c(NC(=O)Cc1c3c(ccc1)cccc3)ccc2

InChI:

InChI=1/C20H14N2O3/c23-17(11-13-7-3-6-12-5-1-2-8-14(12)13)21-16-10-4-9-15-18(16)20(25)22-19(15)24/h1-10H,11H2,(H,21,23)(H,22,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.4413 kcal/mol

Physical Properties
Molecular Weight: 330.343 g/mol	logS: -5.95006	SlogP: 2.90457	Reactive groups: 0

Topological Properties
Globularity: 0.119955	Sterimol/B1: 2.66351	Sterimol/B2: 2.98997	Sterimol/B3: 5.1395
Sterimol/B4: 6.98089	Sterimol/L: 15.688

Surface and Volume Properties
Accessible surface: 556.052	Positive charged surface: 299.662	Negative charged surface: 247.548	Volume: 302.375
Hydrophobic surface: 401.415	Hydrophilic surface: 154.637

Pharmacophoric Properties
Hydrogen bond donors: 2	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.