MMsINC Database Search


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MMsINC code: MMs02232107

Type: Neutral
Formula: C₁₈H₁₆N₂O₃

SMILES:

O1c2c(OC1)cc1N(C(C)C)C(=O)N=C(c1c2)c1ccccc1

InChI:

InChI=1/C18H16N2O3/c1-11(2)20-14-9-16-15(22-10-23-16)8-13(14)17(19-18(20)21)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.451 kcal/mol

Physical Properties
Molecular Weight: 308.337 g/mol	logS: -4.46288	SlogP: 3.6011	Reactive groups: 0

Topological Properties
Globularity: 0.0761703	Sterimol/B1: 2.43837	Sterimol/B2: 2.99304	Sterimol/B3: 4.76657
Sterimol/B4: 9.03516	Sterimol/L: 14.1026

Surface and Volume Properties
Accessible surface: 527.395	Positive charged surface: 322.586	Negative charged surface: 204.809	Volume: 286.375
Hydrophobic surface: 389.784	Hydrophilic surface: 137.611

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.