MMsINC Database Search


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MMsINC code: MMs02300353

Type: Neutral
Formula: C₁₅H₁₆O₃

SMILES:

O1c2cc(OC)c(cc2C=CC1=O)CC=C(C)C

InChI:

InChI=1/C15H16O3/c1-10(2)4-5-11-8-12-6-7-15(16)18-14(12)9-13(11)17-3/h4,6-9H,5H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.3282 kcal/mol

Physical Properties
Molecular Weight: 244.29 g/mol	logS: -4.64034	SlogP: 3.13607	Reactive groups: 0

Topological Properties
Globularity: 0.103965	Sterimol/B1: 2.40027	Sterimol/B2: 3.49374	Sterimol/B3: 4.71459
Sterimol/B4: 7.51998	Sterimol/L: 13.9063

Surface and Volume Properties
Accessible surface: 479.831	Positive charged surface: 314.565	Negative charged surface: 165.266	Volume: 248
Hydrophobic surface: 399.205	Hydrophilic surface: 80.626

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.