MMsINC Database Search


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MMsINC code: MMs00349610

Type: Neutral
Formula: C₁₅H₁₁NO₃

SMILES:

O1c2c(cccc2)C(Nc2cc(O)ccc2)=CC1=O

InChI:

InChI=1/C15H11NO3/c17-11-5-3-4-10(8-11)16-13-9-15(18)19-14-7-2-1-6-12(13)14/h1-9,16-17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.26 kcal/mol

Physical Properties
Molecular Weight: 253.257 g/mol	logS: -4.0654	SlogP: 2.7642	Reactive groups: 0

Topological Properties
Globularity: 0.114966	Sterimol/B1: 2.29641	Sterimol/B2: 2.44768	Sterimol/B3: 4.68525
Sterimol/B4: 7.35948	Sterimol/L: 12.9568

Surface and Volume Properties
Accessible surface: 450.311	Positive charged surface: 250.962	Negative charged surface: 199.349	Volume: 232.75
Hydrophobic surface: 311.987	Hydrophilic surface: 138.324

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.