MMsINC Database Search


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MMsINC code: MMs03215958

Type: Neutral
Formula: C₁₄H₁₈N₂O₃

SMILES:

O(C)c1cc2c([nH]cc2CCNC(=O)C)cc1OC

InChI:

InChI=1/C14H18N2O3/c1-9(17)15-5-4-10-8-16-12-7-14(19-3)13(18-2)6-11(10)12/h6-8,16H,4-5H2,1-3H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.2138 kcal/mol

Physical Properties
Molecular Weight: 262.309 g/mol	logS: -1.9905	SlogP: 1.86367	Reactive groups: 0

Topological Properties
Globularity: 0.0513814	Sterimol/B1: 3.26305	Sterimol/B2: 3.67411	Sterimol/B3: 5.30231
Sterimol/B4: 5.74652	Sterimol/L: 16.2854

Surface and Volume Properties
Accessible surface: 514.594	Positive charged surface: 387.64	Negative charged surface: 122.68	Volume: 258.75
Hydrophobic surface: 394.174	Hydrophilic surface: 120.42

Pharmacophoric Properties
Hydrogen bond donors: 2	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.