MMsINC Database Search


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MMsINC code: MMs02251041

Type: Neutral
Formula: C₁₇H₁₈O₃

SMILES:

O(C(=O)c1ccccc1O)c1cc(ccc1C)C(C)C

InChI:

InChI=1/C17H18O3/c1-11(2)13-9-8-12(3)16(10-13)20-17(19)14-6-4-5-7-15(14)18/h4-11,18H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.4194 kcal/mol

Physical Properties
Molecular Weight: 270.328 g/mol	logS: -4.80182	SlogP: 4.04322	Reactive groups: 0

Topological Properties
Globularity: 0.103839	Sterimol/B1: 2.47613	Sterimol/B2: 3.7791	Sterimol/B3: 4.33868
Sterimol/B4: 6.53316	Sterimol/L: 15.4874

Surface and Volume Properties
Accessible surface: 521	Positive charged surface: 322.975	Negative charged surface: 198.025	Volume: 275.125
Hydrophobic surface: 417.777	Hydrophilic surface: 103.223

Pharmacophoric Properties
Hydrogen bond donors: 1	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.