MMsINC Database Search


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MMsINC code: MMs00621818

Type: Neutral
Formula: C₁₈H₂₀N₂O₂

SMILES:

O=C(Nc1ccccc1NC(=O)C)CCCc1ccccc1

InChI:

InChI=1/C18H20N2O2/c1-14(21)19-16-11-5-6-12-17(16)20-18(22)13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.6638 kcal/mol

Physical Properties
Molecular Weight: 296.37 g/mol	logS: -4.02293	SlogP: 3.60637	Reactive groups: 0

Topological Properties
Globularity: 0.0369831	Sterimol/B1: 2.08691	Sterimol/B2: 3.5993	Sterimol/B3: 3.81736
Sterimol/B4: 8.43753	Sterimol/L: 17.9172

Surface and Volume Properties
Accessible surface: 580.72	Positive charged surface: 359.509	Negative charged surface: 221.212	Volume: 299.875
Hydrophobic surface: 501.773	Hydrophilic surface: 78.947

Pharmacophoric Properties
Hydrogen bond donors: 2	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.