MMsINC Database Search


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MMsINC code: MMs02691329

Type: Neutral
Formula: C₁₄H₁₅NO₃

SMILES:

o1c(ccc1C)C(=O)NCc1ccc(OC)cc1

InChI:

InChI=1/C14H15NO3/c1-10-3-8-13(18-10)14(16)15-9-11-4-6-12(17-2)7-5-11/h3-8H,9H2,1-2H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.0901 kcal/mol

Physical Properties
Molecular Weight: 245.278 g/mol	logS: -3.41425	SlogP: 2.79302	Reactive groups: 0

Topological Properties
Globularity: 0.0624004	Sterimol/B1: 2.13519	Sterimol/B2: 3.70798	Sterimol/B3: 3.83333
Sterimol/B4: 7.06918	Sterimol/L: 15.9035

Surface and Volume Properties
Accessible surface: 505.281	Positive charged surface: 324.756	Negative charged surface: 180.524	Volume: 241.5
Hydrophobic surface: 430.464	Hydrophilic surface: 74.817

Pharmacophoric Properties
Hydrogen bond donors: 1	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.