MMsINC Database Search


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MMsINC code: MMs03397581

Type: Neutral
Formula: C₁₇H₁₈N₂O₃

SMILES:

O(C)c1c(OC)cc(cc1OC)-c1[nH]c2cc(ccc2n1)C

InChI:

InChI=1/C17H18N2O3/c1-10-5-6-12-13(7-10)19-17(18-12)11-8-14(20-2)16(22-4)15(9-11)21-3/h5-9H,1-4H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.6228 kcal/mol

Physical Properties
Molecular Weight: 298.342 g/mol	logS: -5.1153	SlogP: 3.56412	Reactive groups: 0

Topological Properties
Globularity: 0.0181951	Sterimol/B1: 2.68074	Sterimol/B2: 2.85662	Sterimol/B3: 5.29492
Sterimol/B4: 6.54454	Sterimol/L: 16.9059

Surface and Volume Properties
Accessible surface: 562.487	Positive charged surface: 421.637	Negative charged surface: 140.85	Volume: 290.25
Hydrophobic surface: 508.201	Hydrophilic surface: 54.286

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.