MMsINC Database Search


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MMsINC code: MMs03376111

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

OC(=O)C(CC(N(C)C)C)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H23NO2/c1-15(20(2)3)14-19(18(21)22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3,(H,21,22)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.063 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -3.35964	SlogP: 3.3975	Reactive groups: 0

Topological Properties
Globularity: 0.246361	Sterimol/B1: 3.6257	Sterimol/B2: 5.28939	Sterimol/B3: 5.63098
Sterimol/B4: 6.11238	Sterimol/L: 13.3175

Surface and Volume Properties
Accessible surface: 511.95	Positive charged surface: 352.297	Negative charged surface: 159.653	Volume: 304.625
Hydrophobic surface: 439.877	Hydrophilic surface: 72.073

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.