MMsINC Database Search


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MMsINC code: MMs03398300

Type: Neutral
Formula: C₁₉H₂₄O

SMILES:

O(Cc1ccccc1)c1ccc(cc1)CC(CC)CC

InChI:

InChI=1/C19H24O/c1-3-16(4-2)14-17-10-12-19(13-11-17)20-15-18-8-6-5-7-9-18/h5-13,16H,3-4,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.5954 kcal/mol

Physical Properties
Molecular Weight: 268.4 g/mol	logS: -6.25318	SlogP: 5.51067	Reactive groups: 0

Topological Properties
Globularity: 0.050101	Sterimol/B1: 2.44113	Sterimol/B2: 3.12449	Sterimol/B3: 3.95603
Sterimol/B4: 6.30427	Sterimol/L: 18.1696

Surface and Volume Properties
Accessible surface: 567.454	Positive charged surface: 357.434	Negative charged surface: 210.02	Volume: 300.625
Hydrophobic surface: 514.905	Hydrophilic surface: 52.549

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.