MMsINC Database Search


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MMsINC code: MMs02251518

Type: Neutral
Formula: C₁₈H₁₄O

SMILES:

OC1c2c(cc(c3c2cccc3)C)-c2c1cccc2

InChI:

InChI=1/C18H14O/c1-11-10-16-13-7-3-5-9-15(13)18(19)17(16)14-8-4-2-6-12(11)14/h2-10,18-19H,1H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.4011 kcal/mol

Physical Properties
Molecular Weight: 246.309 g/mol	logS: -6.05648	SlogP: 4.30582	Reactive groups: 0

Topological Properties
Globularity: 0.0161262	Sterimol/B1: 2.32981	Sterimol/B2: 2.59555	Sterimol/B3: 2.72564
Sterimol/B4: 7.54757	Sterimol/L: 13.9252

Surface and Volume Properties
Accessible surface: 461.888	Positive charged surface: 242.137	Negative charged surface: 197.819	Volume: 250.75
Hydrophobic surface: 422.097	Hydrophilic surface: 39.791

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.