MMsINC Database Search


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MMsINC code: MMs00008404

Type: Neutral
Formula: C₁₄H₁₀O

SMILES:

O=C1c2c(Cc3c1cccc3)cccc2

InChI:

InChI=1/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.3635 kcal/mol

Physical Properties
Molecular Weight: 194.233 g/mol	logS: -3.92857	SlogP: 2.82177	Reactive groups: 0

Topological Properties
Globularity: 0.0202442	Sterimol/B1: 2.097	Sterimol/B2: 3.15921	Sterimol/B3: 3.25759
Sterimol/B4: 5.04227	Sterimol/L: 12.0865

Surface and Volume Properties
Accessible surface: 392.429	Positive charged surface: 211.932	Negative charged surface: 180.497	Volume: 193.75
Hydrophobic surface: 354.374	Hydrophilic surface: 38.055

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.