MMsINC Database Search


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MMsINC code: MMs01340877

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

O(C)c1cc2c(cc(cc2)C2(NC(=O)NC2=O)C)cc1

InChI:

InChI=1/C15H14N2O3/c1-15(13(18)16-14(19)17-15)11-5-3-10-8-12(20-2)6-4-9(10)7-11/h3-8H,1-2H3,(H2,16,17,18,19)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.8583 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -4.16385	SlogP: 2.2145	Reactive groups: 0

Topological Properties
Globularity: 0.075837	Sterimol/B1: 2.04459	Sterimol/B2: 3.74115	Sterimol/B3: 4.64295
Sterimol/B4: 5.54655	Sterimol/L: 14.613

Surface and Volume Properties
Accessible surface: 475.901	Positive charged surface: 284.117	Negative charged surface: 181.426	Volume: 250.375
Hydrophobic surface: 310.661	Hydrophilic surface: 165.24

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.