MMsINC Database Search


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MMsINC code: MMs02847268

Type: Neutral
Formula: C₁₉H₁₄O₂

SMILES:

O1C2c3c(-c4c(C12)cccc4)cc1c(cccc1)c3CO

InChI:

InChI=1/C19H14O2/c20-10-16-12-6-2-1-5-11(12)9-15-13-7-3-4-8-14(13)18-19(21-18)17(15)16/h1-9,18-20H,10H2/t18-,19+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.5638 kcal/mol

Physical Properties
Molecular Weight: 274.319 g/mol	logS: -5.8476	SlogP: 4.5825	Reactive groups: 1

Topological Properties
Globularity: 0.0178511	Sterimol/B1: 2.20506	Sterimol/B2: 2.597	Sterimol/B3: 2.95633
Sterimol/B4: 7.47619	Sterimol/L: 14.2813

Surface and Volume Properties
Accessible surface: 482.583	Positive charged surface: 255.77	Negative charged surface: 206.017	Volume: 266.5
Hydrophobic surface: 401.332	Hydrophilic surface: 81.251

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.