MMsINC Database Search


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MMsINC code: MMs02319355

Type: Neutral
Formula: C₁₈H₁₆N₂O₂

SMILES:

O(C)c1cc2cc([nH]c2cc1OC)-c1c2c([nH]c1)cccc2

InChI:

InChI=1/C18H16N2O2/c1-21-17-8-11-7-16(20-15(11)9-18(17)22-2)13-10-19-14-6-4-3-5-12(13)14/h3-10,19-20H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.6164 kcal/mol

Physical Properties
Molecular Weight: 292.338 g/mol	logS: -4.46062	SlogP: 4.3334	Reactive groups: 0

Topological Properties
Globularity: 0.0347795	Sterimol/B1: 2.1043	Sterimol/B2: 2.39152	Sterimol/B3: 3.79086
Sterimol/B4: 7.44336	Sterimol/L: 15.9716

Surface and Volume Properties
Accessible surface: 544.555	Positive charged surface: 353.911	Negative charged surface: 179.4	Volume: 283.75
Hydrophobic surface: 466.889	Hydrophilic surface: 77.666

Pharmacophoric Properties
Hydrogen bond donors: 2	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.