MMsINC Database Search


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MMsINC code: MMs03879072

Type: Neutral
Formula: C₁₉H₁₉NO₃

SMILES:

o1c2c(cc(cc2)C)c(C)c1C(=O)NCc1ccc(OC)cc1

InChI:

InChI=1/C19H19NO3/c1-12-4-9-17-16(10-12)13(2)18(23-17)19(21)20-11-14-5-7-15(22-3)8-6-14/h4-10H,11H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.1009 kcal/mol

Physical Properties
Molecular Weight: 309.365 g/mol	logS: -5.58193	SlogP: 4.25464	Reactive groups: 0

Topological Properties
Globularity: 0.0365914	Sterimol/B1: 3.35316	Sterimol/B2: 3.37189	Sterimol/B3: 4.11282
Sterimol/B4: 6.37824	Sterimol/L: 18.6154

Surface and Volume Properties
Accessible surface: 593.442	Positive charged surface: 387.508	Negative charged surface: 200.027	Volume: 308.625
Hydrophobic surface: 529.743	Hydrophilic surface: 63.699

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.