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MMsINC code: MMs02864993

Type: Neutral
Formula: C₁₅H₁₅NO₃

SMILES:

OC(=O)C(NC(=O)C)Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C15H15NO3/c1-10(17)16-14(15(18)19)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14H,9H2,1H3,(H,16,17)(H,18,19)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.9129 kcal/mol

Physical Properties
Molecular Weight: 257.289 g/mol	logS: -3.47356	SlogP: 1.97157	Reactive groups: 0

Topological Properties
Globularity: 0.191601	Sterimol/B1: 2.54363	Sterimol/B2: 2.93973	Sterimol/B3: 5.08161
Sterimol/B4: 7.28342	Sterimol/L: 12.1319

Surface and Volume Properties
Accessible surface: 471.966	Positive charged surface: 256.558	Negative charged surface: 206.164	Volume: 248
Hydrophobic surface: 348.773	Hydrophilic surface: 123.193

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02864994
PUBCHEM-ZINC02046417