MMsINC Database Search


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MMsINC code: MMs01244029

Type: Neutral
Formula: C₁₇H₁₄N₂O₂

SMILES:

O=C/1Nc2c(cccc2)\C\1=C\c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C17H14N2O2/c1-11(20)18-13-8-6-12(7-9-13)10-15-14-4-2-3-5-16(14)19-17(15)21/h2-10H,1H3,(H,18,20)(H,19,21)/b15-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.7702 kcal/mol

Physical Properties
Molecular Weight: 278.311 g/mol	logS: -4.20213	SlogP: 3.1377	Reactive groups: 0

Topological Properties
Globularity: 0.0259093	Sterimol/B1: 2.9017	Sterimol/B2: 3.15536	Sterimol/B3: 3.22863
Sterimol/B4: 5.21385	Sterimol/L: 17.2721

Surface and Volume Properties
Accessible surface: 508.559	Positive charged surface: 299.587	Negative charged surface: 208.973	Volume: 267.625
Hydrophobic surface: 395.156	Hydrophilic surface: 113.403

Pharmacophoric Properties
Hydrogen bond donors: 2	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.