MMsINC Database Search


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MMsINC code: MMs02610379

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

O(c1cc(OC)cc(OC)c1)c1ncc(cn1)-c1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.239 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -5.67325	SlogP: 4.26152	Reactive groups: 0

Topological Properties
Globularity: 0.0772152	Sterimol/B1: 2.87956	Sterimol/B2: 5.09319	Sterimol/B3: 5.4332
Sterimol/B4: 6.14288	Sterimol/L: 16.6434

Surface and Volume Properties
Accessible surface: 603.477	Positive charged surface: 415.023	Negative charged surface: 176.988	Volume: 311.375
Hydrophobic surface: 554.387	Hydrophilic surface: 49.09

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.