MMsINC Database Search


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MMsINC code: MMs03523387

Type: Neutral
Formula: C₁₉H₁₄O

SMILES:

Oc1c2c(c3c(c4c(cc3C)cccc4)cc2)ccc1

InChI:

InChI=1/C19H14O/c1-12-11-13-5-2-3-6-14(13)17-10-9-15-16(19(12)17)7-4-8-18(15)20/h2-11,20H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.409 kcal/mol

Physical Properties
Molecular Weight: 258.32 g/mol	logS: -7.13049	SlogP: 5.16022	Reactive groups: 0

Topological Properties
Globularity: 0.0272176	Sterimol/B1: 2.07903	Sterimol/B2: 2.15646	Sterimol/B3: 3.40476
Sterimol/B4: 7.49969	Sterimol/L: 14.2757

Surface and Volume Properties
Accessible surface: 462.083	Positive charged surface: 237.156	Negative charged surface: 198.39	Volume: 259.875
Hydrophobic surface: 417.647	Hydrophilic surface: 44.436

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.