MMsINC Database Search


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MMsINC code: MMs02277661

Type: Neutral
Formula: C₁₅H₁₁NO₂

SMILES:

O1c2c(N=C(c3ccccc3)C1=O)cc(cc2)C

InChI:

InChI=1/C15H11NO2/c1-10-7-8-13-12(9-10)16-14(15(17)18-13)11-5-3-2-4-6-11/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.8175 kcal/mol

Physical Properties
Molecular Weight: 237.258 g/mol	logS: -4.98908	SlogP: 3.03482	Reactive groups: 0

Topological Properties
Globularity: 0.0071644	Sterimol/B1: 2.22932	Sterimol/B2: 2.49172	Sterimol/B3: 2.8107
Sterimol/B4: 5.89765	Sterimol/L: 14.6304

Surface and Volume Properties
Accessible surface: 446.028	Positive charged surface: 242.886	Negative charged surface: 203.141	Volume: 226
Hydrophobic surface: 382.058	Hydrophilic surface: 63.97

Pharmacophoric Properties
Hydrogen bond donors: 0	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.