MMsINC Database Search


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MMsINC code: MMs02333105

Type: Neutral
Formula: C₁₉H₁₄O

SMILES:

O=C1c2c(-c3c1cccc3)c(c1c(cccc1)c2C)C

InChI:

InChI=1/C19H14O/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19(18)20/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.439 kcal/mol

Physical Properties
Molecular Weight: 258.32 g/mol	logS: -7.06429	SlogP: 4.66804	Reactive groups: 0

Topological Properties
Globularity: 0.00998102	Sterimol/B1: 2.0976	Sterimol/B2: 2.5081	Sterimol/B3: 2.5185
Sterimol/B4: 7.67149	Sterimol/L: 14.3199

Surface and Volume Properties
Accessible surface: 461.163	Positive charged surface: 237.321	Negative charged surface: 202.845	Volume: 263.625
Hydrophobic surface: 424.946	Hydrophilic surface: 36.217

Pharmacophoric Properties
Hydrogen bond donors: 0	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.