MMsINC Database Search


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MMsINC code: MMs00014421

Type: Neutral
Formula: C₁₅H₁₄O

SMILES:

O=C(c1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C15H14O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.8449 kcal/mol

Physical Properties
Molecular Weight: 210.276 g/mol	logS: -4.40553	SlogP: 3.53444	Reactive groups: 0

Topological Properties
Globularity: 0.0270786	Sterimol/B1: 2.59974	Sterimol/B2: 2.71973	Sterimol/B3: 2.80376
Sterimol/B4: 5.76982	Sterimol/L: 14.2544

Surface and Volume Properties
Accessible surface: 444.137	Positive charged surface: 251.024	Negative charged surface: 193.113	Volume: 223.625
Hydrophobic surface: 409.292	Hydrophilic surface: 34.845

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.