MMsINC Database Search


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MMsINC code: MMs00635804

Type: Neutral
Formula: C₁₅H₁₅NO₃

SMILES:

O(Cc1ccccc1)c1ccc(cc1OC)C(=O)N

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.4388 kcal/mol

Physical Properties
Molecular Weight: 257.289 g/mol	logS: -3.50566	SlogP: 2.6395	Reactive groups: 0

Topological Properties
Globularity: 0.0583697	Sterimol/B1: 2.43302	Sterimol/B2: 3.61678	Sterimol/B3: 3.6211
Sterimol/B4: 7.41382	Sterimol/L: 15.7774

Surface and Volume Properties
Accessible surface: 502.051	Positive charged surface: 318.747	Negative charged surface: 183.304	Volume: 254.375
Hydrophobic surface: 382.329	Hydrophilic surface: 119.722

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.