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MMsINC code: MMs02254181

Type: Neutral
Formula: C₁₈H₁₅NO₃

SMILES:

O=C1N(C)C(=O)c2c(cccc2)C1C(=O)Cc1ccccc1

InChI:

InChI=1/C18H15NO3/c1-19-17(21)14-10-6-5-9-13(14)16(18(19)22)15(20)11-12-7-3-2-4-8-12/h2-10,16H,11H2,1H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.164 kcal/mol

Physical Properties
Molecular Weight: 293.322 g/mol	logS: -4.03148	SlogP: 2.19417	Reactive groups: 1

Topological Properties
Globularity: 0.093453	Sterimol/B1: 2.01797	Sterimol/B2: 3.11688	Sterimol/B3: 3.8023
Sterimol/B4: 8.98417	Sterimol/L: 13.7228

Surface and Volume Properties
Accessible surface: 515.481	Positive charged surface: 306.37	Negative charged surface: 209.11	Volume: 281
Hydrophobic surface: 442.068	Hydrophilic surface: 73.413

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs02254182
NCID-ZINC01601223