MMsINC Database Search


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MMsINC code: MMs02410609

Type: Neutral
Formula: C₁₅H₁₃NO₂

SMILES:

O1c2c(cc(N(C)C)cc2)-c2c(cccc2)C1=O

InChI:

InChI=1/C15H13NO2/c1-16(2)10-7-8-14-13(9-10)11-5-3-4-6-12(11)15(17)18-14/h3-9H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.7633 kcal/mol

Physical Properties
Molecular Weight: 239.274 g/mol	logS: -4.61897	SlogP: 2.9522	Reactive groups: 0

Topological Properties
Globularity: 0.0156869	Sterimol/B1: 2.38434	Sterimol/B2: 2.50593	Sterimol/B3: 4.68158
Sterimol/B4: 4.8655	Sterimol/L: 13.4987

Surface and Volume Properties
Accessible surface: 443.484	Positive charged surface: 280.79	Negative charged surface: 152.101	Volume: 232.75
Hydrophobic surface: 383.01	Hydrophilic surface: 60.474

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.