MMsINC Database Search


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MMsINC code: MMs02093054

Type: Neutral
Formula: C₁₇H₁₄O₂

SMILES:

O(Cc1ccccc1)c1cc2cc(O)ccc2cc1

InChI:

InChI=1/C17H14O2/c18-16-8-6-14-7-9-17(11-15(14)10-16)19-12-13-4-2-1-3-5-13/h1-11,18H,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.8405 kcal/mol

Physical Properties
Molecular Weight: 250.297 g/mol	logS: -4.71909	SlogP: 4.3908	Reactive groups: 0

Topological Properties
Globularity: 0.0480749	Sterimol/B1: 3.25486	Sterimol/B2: 3.61052	Sterimol/B3: 3.64941
Sterimol/B4: 5.13204	Sterimol/L: 16.2207

Surface and Volume Properties
Accessible surface: 495.405	Positive charged surface: 270.823	Negative charged surface: 214.906	Volume: 252.375
Hydrophobic surface: 435.315	Hydrophilic surface: 60.09

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.