MMsINC Database Search


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MMsINC code: MMs00120338

Type: Neutral
Formula: C₁₁H₁₀N₂O₂

SMILES:

O=Cc1c2c(n(c1)CC(=O)N)cccc2

InChI:

InChI=1/C11H10N2O2/c12-11(15)6-13-5-8(7-14)9-3-1-2-4-10(9)13/h1-5,7H,6H2,(H2,12,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.5226 kcal/mol

Physical Properties
Molecular Weight: 202.213 g/mol	logS: -1.85346	SlogP: 1.2055	Reactive groups: 1

Topological Properties
Globularity: 0.0684756	Sterimol/B1: 2.98046	Sterimol/B2: 3.21803	Sterimol/B3: 3.2354
Sterimol/B4: 7.51707	Sterimol/L: 11.1732

Surface and Volume Properties
Accessible surface: 397.899	Positive charged surface: 231.147	Negative charged surface: 160.909	Volume: 191.875
Hydrophobic surface: 221.213	Hydrophilic surface: 176.686

Pharmacophoric Properties
Hydrogen bond donors: 1	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.