MMsINC Database Search


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MMsINC code: MMs00501069

Type: Neutral
Formula: C₁₅H₁₁NO₂

SMILES:

O=C1c2c(-c3c1cccc3)c(ccc2)C(=O)NC

InChI:

InChI=1/C15H11NO2/c1-16-15(18)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)17/h2-8H,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.9611 kcal/mol

Physical Properties
Molecular Weight: 237.258 g/mol	logS: -4.3847	SlogP: 2.2576	Reactive groups: 0

Topological Properties
Globularity: 0.0236641	Sterimol/B1: 2.15067	Sterimol/B2: 3.04029	Sterimol/B3: 3.11552
Sterimol/B4: 7.64398	Sterimol/L: 12.1499

Surface and Volume Properties
Accessible surface: 440.398	Positive charged surface: 259.832	Negative charged surface: 168.354	Volume: 225.75
Hydrophobic surface: 355.279	Hydrophilic surface: 85.119

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.