MMsINC Database Search


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MMsINC code: MMs02268057

Type: Neutral
Formula: C₁₈H₁₄N₂O₂

SMILES:

O=C1c2c([nH]c3c2cccc3)CN(C1)C(=O)c1ccccc1

InChI:

InChI=1/C18H14N2O2/c21-16-11-20(18(22)12-6-2-1-3-7-12)10-15-17(16)13-8-4-5-9-14(13)19-15/h1-9,19H,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.2123 kcal/mol

Physical Properties
Molecular Weight: 290.322 g/mol	logS: -4.08949	SlogP: 3.273	Reactive groups: 0

Topological Properties
Globularity: 0.104975	Sterimol/B1: 2.92822	Sterimol/B2: 3.57955	Sterimol/B3: 4.19039
Sterimol/B4: 6.6972	Sterimol/L: 14.3746

Surface and Volume Properties
Accessible surface: 510.292	Positive charged surface: 277.993	Negative charged surface: 226.87	Volume: 274.25
Hydrophobic surface: 399.513	Hydrophilic surface: 110.779

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.