MMsINC Database Search


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MMsINC code: MMs02277292

Type: Neutral
Formula: C₁₈H₁₄O₂

SMILES:

O(C(=O)c1ccccc1-c1c2c(ccc1)cccc2)C

InChI:

InChI=1/C18H14O2/c1-20-18(19)17-11-5-4-10-16(17)15-12-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.2405 kcal/mol

Physical Properties
Molecular Weight: 262.308 g/mol	logS: -6.07087	SlogP: 4.2934	Reactive groups: 0

Topological Properties
Globularity: 0.284158	Sterimol/B1: 2.35566	Sterimol/B2: 2.64318	Sterimol/B3: 5.73657
Sterimol/B4: 8.20397	Sterimol/L: 12.4805

Surface and Volume Properties
Accessible surface: 481.477	Positive charged surface: 301.262	Negative charged surface: 173.164	Volume: 262.125
Hydrophobic surface: 463.696	Hydrophilic surface: 17.781

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.