MMsINC Database Search


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MMsINC code: MMs00011299

Type: Neutral
Formula: C₁₆H₁₄O₂

SMILES:

O(C)c1c2c(cc3c(c2)cccc3)c(OC)cc1

InChI:

InChI=1/C16H14O2/c1-17-15-7-8-16(18-2)14-10-12-6-4-3-5-11(12)9-13(14)15/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.2273 kcal/mol

Physical Properties
Molecular Weight: 238.286 g/mol	logS: -5.2414	SlogP: 4.0102	Reactive groups: 0

Topological Properties
Globularity: 0.0110788	Sterimol/B1: 2.37265	Sterimol/B2: 2.37934	Sterimol/B3: 2.56829
Sterimol/B4: 9.34405	Sterimol/L: 12.0574

Surface and Volume Properties
Accessible surface: 460.991	Positive charged surface: 303.714	Negative charged surface: 135.135	Volume: 238.375
Hydrophobic surface: 452.257	Hydrophilic surface: 8.734

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.