MMsINC Database Search


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MMsINC code: MMs02621087

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

OC=1N2CCc3c2c(ccc3)C(=O)C=1C(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C19H16N2O3/c1-11-5-7-13(8-6-11)20-18(23)15-17(22)14-4-2-3-12-9-10-21(16(12)14)19(15)24/h2-8,24H,9-10H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.4056 kcal/mol

Physical Properties
Molecular Weight: 320.348 g/mol	logS: -4.66571	SlogP: 2.96209	Reactive groups: 1

Topological Properties
Globularity: 0.0192952	Sterimol/B1: 2.82253	Sterimol/B2: 3.00131	Sterimol/B3: 4.52595
Sterimol/B4: 4.78528	Sterimol/L: 17.3784

Surface and Volume Properties
Accessible surface: 553.492	Positive charged surface: 332.771	Negative charged surface: 220.72	Volume: 298.125
Hydrophobic surface: 445.452	Hydrophilic surface: 108.04

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.