MMsINC Database Search


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MMsINC code: MMs00093975

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

OC=1c2c(N(C)C(=O)C=1C(=O)Nc1c(cccc1C)C)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.176 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -4.11024	SlogP: 3.18764	Reactive groups: 0

Topological Properties
Globularity: 0.0813444	Sterimol/B1: 2.41846	Sterimol/B2: 2.63019	Sterimol/B3: 5.15806
Sterimol/B4: 6.96512	Sterimol/L: 16.4085

Surface and Volume Properties
Accessible surface: 541.403	Positive charged surface: 324.536	Negative charged surface: 216.866	Volume: 305.875
Hydrophobic surface: 461.814	Hydrophilic surface: 79.589

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.