MMsINC Database Search


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MMsINC code: MMs00465605

Type: Neutral
Formula: C₁₅H₁₄O

SMILES:

OC(\C=C\c1ccccc1)c1ccccc1

InChI:

InChI=1/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12,15-16H/b12-11+/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.0624 kcal/mol

Physical Properties
Molecular Weight: 210.276 g/mol	logS: -3.42962	SlogP: 3.5289	Reactive groups: 0

Topological Properties
Globularity: 0.123155	Sterimol/B1: 2.78461	Sterimol/B2: 3.39648	Sterimol/B3: 4.36055
Sterimol/B4: 5.25745	Sterimol/L: 13.8063

Surface and Volume Properties
Accessible surface: 456.592	Positive charged surface: 239.666	Negative charged surface: 216.926	Volume: 226
Hydrophobic surface: 407.936	Hydrophilic surface: 48.656

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.