MMsINC Database Search


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MMsINC code: MMs03175981

Type: Neutral
Formula: C₁₄H₁₀O₂

SMILES:

O1Cc2c(-c3c(cccc3)C1=O)cccc2

InChI:

InChI=1/C14H10O2/c15-14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-16-14/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.2842 kcal/mol

Physical Properties
Molecular Weight: 210.232 g/mol	logS: -4.31539	SlogP: 3.2904	Reactive groups: 0

Topological Properties
Globularity: 0.117542	Sterimol/B1: 3.32004	Sterimol/B2: 3.47494	Sterimol/B3: 3.81661
Sterimol/B4: 4.85735	Sterimol/L: 12.1433

Surface and Volume Properties
Accessible surface: 396.12	Positive charged surface: 207.353	Negative charged surface: 186.265	Volume: 203.375
Hydrophobic surface: 325.534	Hydrophilic surface: 70.586

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.