MMsINC Database Search


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MMsINC code: MMs00011252

Type: Neutral
Formula: C₁₄H₁₂O

SMILES:

O=C(c1ccccc1C)c1ccccc1

InChI:

InChI=1/C14H12O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.3029 kcal/mol

Physical Properties
Molecular Weight: 196.249 g/mol	logS: -3.93161	SlogP: 3.22602	Reactive groups: 0

Topological Properties
Globularity: 0.193851	Sterimol/B1: 2.27876	Sterimol/B2: 3.4484	Sterimol/B3: 4.89478
Sterimol/B4: 6.09881	Sterimol/L: 12.3289

Surface and Volume Properties
Accessible surface: 407.558	Positive charged surface: 215.654	Negative charged surface: 191.903	Volume: 206.375
Hydrophobic surface: 377.591	Hydrophilic surface: 29.967

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.