MMsINC Database Search


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MMsINC code: MMs02254768

Type: Neutral
Formula: C₁₅H₁₄O

SMILES:

O=C(Cc1ccccc1C)c1ccccc1

InChI:

InChI=1/C15H14O/c1-12-7-5-6-10-14(12)11-15(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.6472 kcal/mol

Physical Properties
Molecular Weight: 210.276 g/mol	logS: -3.99308	SlogP: 3.42039	Reactive groups: 0

Topological Properties
Globularity: 0.112462	Sterimol/B1: 2.24648	Sterimol/B2: 3.37041	Sterimol/B3: 4.10537
Sterimol/B4: 6.21842	Sterimol/L: 14.2721

Surface and Volume Properties
Accessible surface: 441.006	Positive charged surface: 240.395	Negative charged surface: 200.611	Volume: 223.375
Hydrophobic surface: 418.177	Hydrophilic surface: 22.829

Pharmacophoric Properties
Hydrogen bond donors: 0	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.