MMsINC Database Search


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MMsINC code: MMs02668103

Type: Neutral
Formula: C₂₀H₁₈N₂O₃

SMILES:

O(C)c1ccc(cc1)Cn1c2c(c3c1cccc3)C(=O)CN(C2)C=O

InChI:

InChI=1/C20H18N2O3/c1-25-15-8-6-14(7-9-15)10-22-17-5-3-2-4-16(17)20-18(22)11-21(13-23)12-19(20)24/h2-9,13H,10-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.4005 kcal/mol

Physical Properties
Molecular Weight: 334.375 g/mol	logS: -3.93016	SlogP: 3.3857	Reactive groups: 0

Topological Properties
Globularity: 0.130419	Sterimol/B1: 2.47129	Sterimol/B2: 4.27459	Sterimol/B3: 5.27659
Sterimol/B4: 7.21726	Sterimol/L: 15.2255

Surface and Volume Properties
Accessible surface: 560.259	Positive charged surface: 353.832	Negative charged surface: 200.986	Volume: 321.25
Hydrophobic surface: 426.729	Hydrophilic surface: 133.53

Pharmacophoric Properties
Hydrogen bond donors: 0	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.