MMsINC Database Search


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MMsINC code: MMs02297466

Type: Neutral
Formula: C₁₅H₁₄O

SMILES:

OC\C(=C\c1ccccc1)\c1ccccc1

InChI:

InChI=1/C15H14O/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11,16H,12H2/b15-11-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3237 kcal/mol

Physical Properties
Molecular Weight: 210.276 g/mol	logS: -3.43921	SlogP: 3.2195	Reactive groups: 0

Topological Properties
Globularity: 0.209245	Sterimol/B1: 2.78068	Sterimol/B2: 4.34426	Sterimol/B3: 5.08953
Sterimol/B4: 5.56604	Sterimol/L: 10.7371

Surface and Volume Properties
Accessible surface: 435.231	Positive charged surface: 274.591	Negative charged surface: 160.64	Volume: 224.875
Hydrophobic surface: 377.771	Hydrophilic surface: 57.46

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.