MMsINC Database Search


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MMsINC code: MMs00084700

Type: Neutral
Formula: C₁₁H₁₀N₂O₃

SMILES:

OC=1c2c(NC(=O)C=1C(=O)NC)cccc2

InChI:

InChI=1/C11H10N2O3/c1-12-10(15)8-9(14)6-4-2-3-5-7(6)13-11(8)16/h2-5H,1H3,(H,12,15)(H2,13,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.5738 kcal/mol

Physical Properties
Molecular Weight: 218.212 g/mol	logS: -2.07143	SlogP: 0.6538	Reactive groups: 0

Topological Properties
Globularity: 0.0339786	Sterimol/B1: 2.43264	Sterimol/B2: 3.73832	Sterimol/B3: 3.8406
Sterimol/B4: 4.66301	Sterimol/L: 13.1757

Surface and Volume Properties
Accessible surface: 407.307	Positive charged surface: 258.727	Negative charged surface: 148.579	Volume: 195.625
Hydrophobic surface: 259.882	Hydrophilic surface: 147.425

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.