MMsINC Database Search


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MMsINC code: MMs02650420

Type: Neutral
Formula: C₁₈H₁₆N₂O₃

SMILES:

O(C)c1ccc(NC(=O)c2cc3c(cc2O)c(N)ccc3)cc1

InChI:

InChI=1/C18H16N2O3/c1-23-13-7-5-12(6-8-13)20-18(22)15-9-11-3-2-4-16(19)14(11)10-17(15)21/h2-10,21H,19H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.223 kcal/mol

Physical Properties
Molecular Weight: 308.337 g/mol	logS: -4.64206	SlogP: 3.3885	Reactive groups: 0

Topological Properties
Globularity: 0.0155333	Sterimol/B1: 2.53087	Sterimol/B2: 3.32942	Sterimol/B3: 3.92895
Sterimol/B4: 5.1067	Sterimol/L: 18.2653

Surface and Volume Properties
Accessible surface: 544.915	Positive charged surface: 342.543	Negative charged surface: 190.995	Volume: 291
Hydrophobic surface: 409.098	Hydrophilic surface: 135.817

Pharmacophoric Properties
Hydrogen bond donors: 3	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.