MMsINC Database Search


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MMsINC code: MMs02471725

Type: Neutral
Formula: C₁₅H₁₆N₂O₂

SMILES:

O\N=C(/Cc1[n+]([O-])c(ccc1)C)\c1ccc(cc1)C

InChI:

InChI=1/C15H16N2O2/c1-11-6-8-13(9-7-11)15(16-18)10-14-5-3-4-12(2)17(14)19/h3-9,18H,10H2,1-2H3/b16-15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.8669 kcal/mol

Physical Properties
Molecular Weight: 256.305 g/mol	logS: -3.34976	SlogP: 2.35781	Reactive groups: 0

Topological Properties
Globularity: 0.0877887	Sterimol/B1: 3.13795	Sterimol/B2: 3.65072	Sterimol/B3: 4.00879
Sterimol/B4: 4.75473	Sterimol/L: 15.1169

Surface and Volume Properties
Accessible surface: 506.066	Positive charged surface: 296.329	Negative charged surface: 209.737	Volume: 254.75
Hydrophobic surface: 423.122	Hydrophilic surface: 82.944

Pharmacophoric Properties
Hydrogen bond donors: 1	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.