MMsINC Database Search


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MMsINC code: MMs01737137

Type: Neutral
Formula: C₁₇H₁₆N₂O₃

SMILES:

O(C)c1cc2c(nc(nc2OC)-c2ccccc2)cc1OC

InChI:

InChI=1/C17H16N2O3/c1-20-14-9-12-13(10-15(14)21-2)18-16(19-17(12)22-3)11-7-5-4-6-8-11/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.7079 kcal/mol

Physical Properties
Molecular Weight: 296.326 g/mol	logS: -5.28248	SlogP: 3.3226	Reactive groups: 0

Topological Properties
Globularity: 0.00987917	Sterimol/B1: 2.3735	Sterimol/B2: 2.38292	Sterimol/B3: 4.69934
Sterimol/B4: 7.53849	Sterimol/L: 15.7738

Surface and Volume Properties
Accessible surface: 549.557	Positive charged surface: 398.862	Negative charged surface: 138.468	Volume: 284.25
Hydrophobic surface: 491.716	Hydrophilic surface: 57.841

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.