MMsINC Database Search


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MMsINC code: MMs00740078

Type: Neutral
Formula: C₁₉H₂₄O₃

SMILES:

O(CCCOc1ccc(OC)cc1)c1ccccc1C(C)C

InChI:

InChI=1/C19H24O3/c1-15(2)18-7-4-5-8-19(18)22-14-6-13-21-17-11-9-16(20-3)10-12-17/h4-5,7-12,15H,6,13-14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.7925 kcal/mol

Physical Properties
Molecular Weight: 300.398 g/mol	logS: -4.72304	SlogP: 4.6665	Reactive groups: 0

Topological Properties
Globularity: 0.0215558	Sterimol/B1: 2.37275	Sterimol/B2: 3.09629	Sterimol/B3: 4.87574
Sterimol/B4: 7.06437	Sterimol/L: 18.8075

Surface and Volume Properties
Accessible surface: 622.212	Positive charged surface: 431.873	Negative charged surface: 190.34	Volume: 318.125
Hydrophobic surface: 561.684	Hydrophilic surface: 60.528

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.