MMsINC Database Search


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MMsINC code: MMs01223086

Type: Neutral
Formula: C₁₈H₂₁NO₂

SMILES:

O(C)c1ccccc1CNC(=O)CC(C)c1ccccc1

InChI:

InChI=1/C18H21NO2/c1-14(15-8-4-3-5-9-15)12-18(20)19-13-16-10-6-7-11-17(16)21-2/h3-11,14H,12-13H2,1-2H3,(H,19,20)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.3076 kcal/mol

Physical Properties
Molecular Weight: 283.371 g/mol	logS: -3.8079	SlogP: 3.7716	Reactive groups: 0

Topological Properties
Globularity: 0.0854018	Sterimol/B1: 2.39781	Sterimol/B2: 2.5406	Sterimol/B3: 5.44413
Sterimol/B4: 7.02087	Sterimol/L: 16.5088

Surface and Volume Properties
Accessible surface: 571.596	Positive charged surface: 379.818	Negative charged surface: 191.777	Volume: 295
Hydrophobic surface: 508.697	Hydrophilic surface: 62.899

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.