MMsINC Database Search


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MMsINC code: MMs00835528

Type: Neutral
Formula: C₁₉H₁₉NO

SMILES:

O(c1cc(ccc1)C)c1ccc(-n2c(ccc2C)C)cc1

InChI:

InChI=1/C19H19NO/c1-14-5-4-6-19(13-14)21-18-11-9-17(10-12-18)20-15(2)7-8-16(20)3/h4-13H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7297 kcal/mol

Physical Properties
Molecular Weight: 277.367 g/mol	logS: -4.42938	SlogP: 5.19486	Reactive groups: 0

Topological Properties
Globularity: 0.0467339	Sterimol/B1: 3.37411	Sterimol/B2: 3.80378	Sterimol/B3: 3.87511
Sterimol/B4: 5.27459	Sterimol/L: 16.7633

Surface and Volume Properties
Accessible surface: 541.553	Positive charged surface: 322.76	Negative charged surface: 218.793	Volume: 294.5
Hydrophobic surface: 534.325	Hydrophilic surface: 7.228

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