MMsINC Database Search


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MMsINC code: MMs02662493

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O(C)c1ccc(cc1)CCCC(=O)Nc1ccc(cc1)CC

InChI:

InChI=1/C19H23NO2/c1-3-15-7-11-17(12-8-15)20-19(21)6-4-5-16-9-13-18(22-2)14-10-16/h7-14H,3-6H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.8272 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -4.853	SlogP: 4.21894	Reactive groups: 0

Topological Properties
Globularity: 0.0318958	Sterimol/B1: 2.93035	Sterimol/B2: 2.9625	Sterimol/B3: 4.43413
Sterimol/B4: 5.76124	Sterimol/L: 20.2612

Surface and Volume Properties
Accessible surface: 611.17	Positive charged surface: 418.448	Negative charged surface: 192.721	Volume: 315
Hydrophobic surface: 534.86	Hydrophilic surface: 76.31

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.