MMsINC Database Search


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MMsINC code: MMs02091362

Type: Neutral
Formula: C₁₆H₁₄O₃

SMILES:

O1c2c(ccc(OC)c2)C(=O)CC1c1ccccc1

InChI:

InChI=1/C16H14O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.6236 kcal/mol

Physical Properties
Molecular Weight: 254.285 g/mol	logS: -3.58921	SlogP: 3.4972	Reactive groups: 0

Topological Properties
Globularity: 0.053962	Sterimol/B1: 2.33993	Sterimol/B2: 3.15324	Sterimol/B3: 3.53486
Sterimol/B4: 6.40836	Sterimol/L: 15.4627

Surface and Volume Properties
Accessible surface: 482.268	Positive charged surface: 300.801	Negative charged surface: 181.467	Volume: 246.125
Hydrophobic surface: 427.37	Hydrophilic surface: 54.898

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.