MMsINC Database Search


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MMsINC code: MMs00148360

Type: Neutral
Formula: C₂₀H₁₈N₂O₄

SMILES:

o1cccc1C(=O)Nc1ccc(NC(=O)c2cc(ccc2)C)cc1OC

InChI:

InChI=1/C20H18N2O4/c1-13-5-3-6-14(11-13)19(23)21-15-8-9-16(18(12-15)25-2)22-20(24)17-7-4-10-26-17/h3-12H,1-2H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.244 kcal/mol

Physical Properties
Molecular Weight: 350.374 g/mol	logS: -5.60073	SlogP: 4.10122	Reactive groups: 0

Topological Properties
Globularity: 0.0108578	Sterimol/B1: 2.4523	Sterimol/B2: 2.57107	Sterimol/B3: 3.16953
Sterimol/B4: 8.33973	Sterimol/L: 19.8342

Surface and Volume Properties
Accessible surface: 623.459	Positive charged surface: 371.016	Negative charged surface: 252.443	Volume: 331.375
Hydrophobic surface: 530.995	Hydrophilic surface: 92.464

Pharmacophoric Properties
Hydrogen bond donors: 2	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.