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MMsINC code: MMs00069869

Type: Neutral
Formula: C₁₈H₁₈N₂O₂

SMILES:

O(C)c1cc2c([nH]cc2CCNC(=O)c2ccccc2)cc1

InChI:

InChI=1/C18H18N2O2/c1-22-15-7-8-17-16(11-15)14(12-20-17)9-10-19-18(21)13-5-3-2-4-6-13/h2-8,11-12,20H,9-10H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6502 kcal/mol

Physical Properties
Molecular Weight: 294.354 g/mol	logS: -3.70066	SlogP: 3.14897	Reactive groups: 0

Topological Properties
Globularity: 0.0515079	Sterimol/B1: 2.55634	Sterimol/B2: 3.66448	Sterimol/B3: 4.03952
Sterimol/B4: 8.37204	Sterimol/L: 17.0722

Surface and Volume Properties
Accessible surface: 568.091	Positive charged surface: 358.099	Negative charged surface: 204.433	Volume: 294.625
Hydrophobic surface: 464.946	Hydrophilic surface: 103.145

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.