MMsINC Database Search


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MMsINC code: MMs02202921

Type: Neutral
Formula: C₁₄H₁₈N₂O₃

SMILES:

Oc1cc(NC(=O)C(=O)NC2CCCCC2)ccc1

InChI:

InChI=1/C14H18N2O3/c17-12-8-4-7-11(9-12)16-14(19)13(18)15-10-5-2-1-3-6-10/h4,7-10,17H,1-3,5-6H2,(H,15,18)(H,16,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.0658 kcal/mol

Physical Properties
Molecular Weight: 262.309 g/mol	logS: -2.86873	SlogP: 1.7796	Reactive groups: 0

Topological Properties
Globularity: 0.0479086	Sterimol/B1: 2.88186	Sterimol/B2: 3.14216	Sterimol/B3: 4.09797
Sterimol/B4: 5.34948	Sterimol/L: 16.6508

Surface and Volume Properties
Accessible surface: 509.764	Positive charged surface: 343.945	Negative charged surface: 165.819	Volume: 253.625
Hydrophobic surface: 366.993	Hydrophilic surface: 142.771

Pharmacophoric Properties
Hydrogen bond donors: 3	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.