MMsINC Database Search


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MMsINC code: MMs02316156

Type: Neutral
Formula: C₁₅H₁₄O

SMILES:

O=C(Cc1ccc(cc1)C)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.4782 kcal/mol

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

Topological Properties
Globularity: 0.0656281	Sterimol/B1: 3.4388	Sterimol/B2: 3.61675	Sterimol/B3: 3.61869
Sterimol/B4: 3.93986	Sterimol/L: 15.3181

Surface and Volume Properties
Accessible surface: 452.102	Positive charged surface: 256.372	Negative charged surface: 195.73	Volume: 227.125
Hydrophobic surface: 426.561	Hydrophilic surface: 25.541

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.