MMsINC Database Search


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MMsINC code: MMs02350940

Type: Neutral
Formula: C₁₇H₁₄O

SMILES:

Oc1ccc2c(cccc2)c1Cc1ccccc1

InChI:

InChI=1/C17H14O/c18-17-11-10-14-8-4-5-9-15(14)16(17)12-13-6-2-1-3-7-13/h1-11,18H,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.4394 kcal/mol

Physical Properties
Molecular Weight: 234.298 g/mol	logS: -4.70374	SlogP: 4.13617	Reactive groups: 0

Topological Properties
Globularity: 0.134773	Sterimol/B1: 2.16059	Sterimol/B2: 3.71463	Sterimol/B3: 4.7836
Sterimol/B4: 6.1832	Sterimol/L: 11.9786

Surface and Volume Properties
Accessible surface: 445.214	Positive charged surface: 238.674	Negative charged surface: 197.141	Volume: 242.75
Hydrophobic surface: 414.487	Hydrophilic surface: 30.727

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.