MMsINC Database Search


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MMsINC code: MMs03397995

Type: Neutral
Formula: C₁₅H₁₄O

SMILES:

O=C(CC)c1c2c3c(CCc3ccc2)cc1

InChI:

InChI=1/C15H14O/c1-2-14(16)12-9-8-11-7-6-10-4-3-5-13(12)15(10)11/h3-5,8-9H,2,6-7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.5182 kcal/mol

Physical Properties
Molecular Weight: 210.276 g/mol	logS: -4.6226	SlogP: 3.53104	Reactive groups: 0

Topological Properties
Globularity: 0.0231079	Sterimol/B1: 2.38321	Sterimol/B2: 2.38481	Sterimol/B3: 4.96389
Sterimol/B4: 5.0501	Sterimol/L: 13.0403

Surface and Volume Properties
Accessible surface: 424.702	Positive charged surface: 265.592	Negative charged surface: 148.019	Volume: 221
Hydrophobic surface: 380.711	Hydrophilic surface: 43.991

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.