MMsINC Database Search


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MMsINC code: MMs00350451

Type: Neutral
Formula: C₁₆H₁₅NO₃

SMILES:

O=C1N(CCCOC)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C16H15NO3/c1-20-10-4-9-17-15(18)12-7-2-5-11-6-3-8-13(14(11)12)16(17)19/h2-3,5-8H,4,9-10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.5529 kcal/mol

Physical Properties
Molecular Weight: 269.3 g/mol	logS: -4.15702	SlogP: 2.4723	Reactive groups: 0

Topological Properties
Globularity: 0.0376347	Sterimol/B1: 2.44348	Sterimol/B2: 3.97803	Sterimol/B3: 4.83864
Sterimol/B4: 4.83976	Sterimol/L: 15.2569

Surface and Volume Properties
Accessible surface: 494.54	Positive charged surface: 322.724	Negative charged surface: 160.781	Volume: 255.5
Hydrophobic surface: 426.086	Hydrophilic surface: 68.454

Pharmacophoric Properties
Hydrogen bond donors: 0	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.