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MMsINC code: MMs01945016

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

OC(=O)c1[nH]c2c(cccc2)c1NC(=O)c1cc(C)c(cc1C)C

InChI:

InChI=1/C19H18N2O3/c1-10-8-12(3)14(9-11(10)2)18(22)21-16-13-6-4-5-7-15(13)20-17(16)19(23)24/h4-9,20H,1-3H3,(H,21,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.9645 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -5.18885	SlogP: 4.04366	Reactive groups: 0

Topological Properties
Globularity: 0.0412884	Sterimol/B1: 3.01803	Sterimol/B2: 3.32267	Sterimol/B3: 4.68524
Sterimol/B4: 6.64716	Sterimol/L: 15.535

Surface and Volume Properties
Accessible surface: 555.118	Positive charged surface: 323.195	Negative charged surface: 227.299	Volume: 305.625
Hydrophobic surface: 421.833	Hydrophilic surface: 133.285

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs01945017
IBS-ZINC05387872