MMsINC Database Search


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MMsINC code: MMs00739936

Type: Neutral
Formula: C₁₉H₂₄O₃

SMILES:

O(CCCCOc1ccc(OC)cc1)c1ccc(cc1C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.3214 kcal/mol

Physical Properties
Molecular Weight: 300.398 g/mol	logS: -4.36829	SlogP: 4.55004	Reactive groups: 0

Topological Properties
Globularity: 0.00791798	Sterimol/B1: 2.51224	Sterimol/B2: 2.51265	Sterimol/B3: 3.72385
Sterimol/B4: 5.6195	Sterimol/L: 21.4256

Surface and Volume Properties
Accessible surface: 626.823	Positive charged surface: 436.384	Negative charged surface: 190.439	Volume: 319.75
Hydrophobic surface: 609.282	Hydrophilic surface: 17.541

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.