MMsINC Database Search


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MMsINC code: MMs01524934

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O(C)c1ccccc1CNC(=O)C(CCC)c1ccccc1

InChI:

InChI=1/C19H23NO2/c1-3-9-17(15-10-5-4-6-11-15)19(21)20-14-16-12-7-8-13-18(16)22-2/h4-8,10-13,17H,3,9,14H2,1-2H3,(H,20,21)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.1774 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -4.64297	SlogP: 4.1617	Reactive groups: 0

Topological Properties
Globularity: 0.143288	Sterimol/B1: 1.969	Sterimol/B2: 2.75206	Sterimol/B3: 5.39627
Sterimol/B4: 7.96685	Sterimol/L: 15.7753

Surface and Volume Properties
Accessible surface: 592.168	Positive charged surface: 404.144	Negative charged surface: 188.024	Volume: 314.625
Hydrophobic surface: 532.194	Hydrophilic surface: 59.974

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