MMsINC Database Search


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MMsINC code: MMs02346205

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

OC(CNC=O)c1cc2[nH]c3c(c2cc1)cccc3

InChI:

InChI=1/C15H14N2O2/c18-9-16-8-15(19)10-5-6-12-11-3-1-2-4-13(11)17-14(12)7-10/h1-7,9,15,17,19H,8H2,(H,16,18)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.6734 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -3.36133	SlogP: 2.196	Reactive groups: 0

Topological Properties
Globularity: 0.0458943	Sterimol/B1: 3.25208	Sterimol/B2: 3.59502	Sterimol/B3: 3.90172
Sterimol/B4: 4.79137	Sterimol/L: 16.295

Surface and Volume Properties
Accessible surface: 485.686	Positive charged surface: 283.015	Negative charged surface: 191.814	Volume: 244.75
Hydrophobic surface: 338.835	Hydrophilic surface: 146.851

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.