MMsINC Database Search


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MMsINC code: MMs00013930

Type: Neutral
Formula: C₁₈H₁₁NO₂

SMILES:

O=C1N(C(=O)c2c1cc1c(c2)cccc1)c1ccccc1

InChI:

InChI=1/C18H11NO2/c20-17-15-10-12-6-4-5-7-13(12)11-16(15)18(21)19(17)14-8-2-1-3-9-14/h1-11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.059 kcal/mol

Physical Properties
Molecular Weight: 273.291 g/mol	logS: -5.63647	SlogP: 3.6404	Reactive groups: 0

Topological Properties
Globularity: 0.000383875	Sterimol/B1: 2.18554	Sterimol/B2: 2.18568	Sterimol/B3: 3.99911
Sterimol/B4: 3.99914	Sterimol/L: 16.1308

Surface and Volume Properties
Accessible surface: 474.67	Positive charged surface: 234.936	Negative charged surface: 230.341	Volume: 259.875
Hydrophobic surface: 404.632	Hydrophilic surface: 70.038

Pharmacophoric Properties
Hydrogen bond donors: 0	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.