MMsINC Database Search


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MMsINC code: MMs01636682

Type: Neutral
Formula: C₁₆H₁₈N₂O₂

SMILES:

O=C(NCC(=O)N(C)C)Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C16H18N2O2/c1-18(2)16(20)11-17-15(19)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9H,10-11H2,1-2H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.6493 kcal/mol

Physical Properties
Molecular Weight: 270.332 g/mol	logS: -3.53694	SlogP: 1.58667	Reactive groups: 0

Topological Properties
Globularity: 0.0723478	Sterimol/B1: 3.01737	Sterimol/B2: 4.1158	Sterimol/B3: 4.70841
Sterimol/B4: 5.00259	Sterimol/L: 15.782

Surface and Volume Properties
Accessible surface: 523.464	Positive charged surface: 362.812	Negative charged surface: 153.959	Volume: 271.625
Hydrophobic surface: 446.669	Hydrophilic surface: 76.795

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.