MMsINC Database Search


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MMsINC code: MMs03002980

Type: Neutral
Formula: C₁₈H₁₄O

SMILES:

Oc1cc(cc(c1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C18H14O/c19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.545 kcal/mol

Physical Properties
Molecular Weight: 246.309 g/mol	logS: -5.87569	SlogP: 4.7262	Reactive groups: 0

Topological Properties
Globularity: 0.00164236	Sterimol/B1: 2.11839	Sterimol/B2: 2.22741	Sterimol/B3: 3.26071
Sterimol/B4: 7.34023	Sterimol/L: 14.6246

Surface and Volume Properties
Accessible surface: 488.105	Positive charged surface: 223.728	Negative charged surface: 242.235	Volume: 255.125
Hydrophobic surface: 435.968	Hydrophilic surface: 52.137

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.