MMsINC Database Search


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MMsINC code: MMs02298583

Type: Neutral
Formula: C₁₉H₁₄O₂

SMILES:

O(C)c1c2c(c3c(c1)c(O)c1c(c3)cccc1)cccc2

InChI:

InChI=1/C19H14O2/c1-21-18-11-17-16(14-8-4-5-9-15(14)18)10-12-6-2-3-7-13(12)19(17)20/h2-11,20H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.954 kcal/mol

Physical Properties
Molecular Weight: 274.319 g/mol	logS: -6.70695	SlogP: 4.8604	Reactive groups: 0

Topological Properties
Globularity: 0.00653551	Sterimol/B1: 1.97841	Sterimol/B2: 2.36844	Sterimol/B3: 2.3805
Sterimol/B4: 8.97039	Sterimol/L: 13.6401

Surface and Volume Properties
Accessible surface: 497.867	Positive charged surface: 281.576	Negative charged surface: 180.776	Volume: 268
Hydrophobic surface: 456.051	Hydrophilic surface: 41.816

Pharmacophoric Properties
Hydrogen bond donors: 1	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.