MMsINC Database Search


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MMsINC code: MMs00740098

Type: Neutral
Formula: C₁₉H₂₄O₃

SMILES:

O(CCCOc1ccc(OC)cc1)c1cc(cc(C)c1C)C

InChI:

InChI=1/C19H24O3/c1-14-12-15(2)16(3)19(13-14)22-11-5-10-21-18-8-6-17(20-4)7-9-18/h6-9,12-13H,5,10-11H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.2476 kcal/mol

Physical Properties
Molecular Weight: 300.398 g/mol	logS: -4.64044	SlogP: 4.46836	Reactive groups: 0

Topological Properties
Globularity: 0.00955008	Sterimol/B1: 1.969	Sterimol/B2: 2.51226	Sterimol/B3: 2.51514
Sterimol/B4: 8.02725	Sterimol/L: 19.7026

Surface and Volume Properties
Accessible surface: 619.059	Positive charged surface: 429.88	Negative charged surface: 189.179	Volume: 319.625
Hydrophobic surface: 600.807	Hydrophilic surface: 18.252

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.