MMsINC Database Search


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MMsINC code: MMs02227989

Type: Neutral
Formula: C₂₃H₁₈NO₂+

SMILES:

O(C)c1cc2c(cc1OC)cc[n+]1c2cc2c(c3c(cc2)cccc3)c1

InChI:

InChI=1/C23H18NO2/c1-25-22-12-17-9-10-24-14-20-16(8-7-15-5-3-4-6-18(15)20)11-21(24)19(17)13-23(22)26-2/h3-14H,1-2H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.631 kcal/mol

Physical Properties
Molecular Weight: 340.402 g/mol	logS: -7.16446	SlogP: 4.9021	Reactive groups: 0

Topological Properties
Globularity: 0.00402523	Sterimol/B1: 2.37416	Sterimol/B2: 2.38403	Sterimol/B3: 3.61527
Sterimol/B4: 7.19885	Sterimol/L: 18.3751

Surface and Volume Properties
Accessible surface: 591.862	Positive charged surface: 379.998	Negative charged surface: 178.65	Volume: 334.625
Hydrophobic surface: 536.998	Hydrophilic surface: 54.864

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 1
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: 0

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Ions/Tautomers related molecules: no related molecules available.