MMsINC Database Search


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MMsINC code: MMs01760263

Type: Neutral
Formula: C₁₈H₁₄O₂

SMILES:

O1c2c(cc(cc2)C)C(=CC1=O)\C=C\c1ccccc1

InChI:

InChI=1/C18H14O2/c1-13-7-10-17-16(11-13)15(12-18(19)20-17)9-8-14-5-3-2-4-6-14/h2-12H,1H3/b9-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.2315 kcal/mol

Physical Properties
Molecular Weight: 262.308 g/mol	logS: -6.15513	SlogP: 4.01082	Reactive groups: 0

Topological Properties
Globularity: 0.0042479	Sterimol/B1: 1.969	Sterimol/B2: 2.24303	Sterimol/B3: 2.50757
Sterimol/B4: 9.19803	Sterimol/L: 14.7918

Surface and Volume Properties
Accessible surface: 509.342	Positive charged surface: 249.785	Negative charged surface: 259.557	Volume: 263
Hydrophobic surface: 441.368	Hydrophilic surface: 67.974

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.