MMsINC Database Search


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MMsINC code: MMs02749672

Type: Neutral
Formula: C₂₀H₁₄O₂

SMILES:

o1c2c(ccc(O)c2)c(c1-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C20H14O2/c21-16-11-12-17-18(13-16)22-20(15-9-5-2-6-10-15)19(17)14-7-3-1-4-8-14/h1-13,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.4434 kcal/mol

Physical Properties
Molecular Weight: 286.33 g/mol	logS: -7.28982	SlogP: 5.4724	Reactive groups: 0

Topological Properties
Globularity: 0.0975333	Sterimol/B1: 2.3878	Sterimol/B2: 3.34935	Sterimol/B3: 3.5963
Sterimol/B4: 8.93532	Sterimol/L: 14.2418

Surface and Volume Properties
Accessible surface: 522.454	Positive charged surface: 298.592	Negative charged surface: 219.145	Volume: 286.5
Hydrophobic surface: 462.692	Hydrophilic surface: 59.762

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.