MMsINC Database Search


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MMsINC code: MMs02298952

Type: Neutral
Formula: C₁₇H₁₂O₂

SMILES:

O1c2c(cc(O)c3c2cccc3)C=2C(C=CC=2)=C1C

InChI:

InChI=1/C17H12O2/c1-10-11-7-4-8-12(11)15-9-16(18)13-5-2-3-6-14(13)17(15)19-10/h2-9,18H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.488 kcal/mol

Physical Properties
Molecular Weight: 248.281 g/mol	logS: -5.15219	SlogP: 4.165	Reactive groups: 0

Topological Properties
Globularity: 0.00783589	Sterimol/B1: 2.0603	Sterimol/B2: 2.25491	Sterimol/B3: 2.50279
Sterimol/B4: 7.42057	Sterimol/L: 13.278

Surface and Volume Properties
Accessible surface: 456.011	Positive charged surface: 239.797	Negative charged surface: 200.041	Volume: 240.5
Hydrophobic surface: 411.287	Hydrophilic surface: 44.724

Pharmacophoric Properties
Hydrogen bond donors: 1	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.