MMsINC Database Search


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MMsINC code: MMs02101003

Type: Neutral
Formula: C₁₇H₁₈N₂O₃

SMILES:

O(Cc1ccccc1)C(=O)NCc1ccc(cc1)C(=O)NC

InChI:

InChI=1/C17H18N2O3/c1-18-16(20)15-9-7-13(8-10-15)11-19-17(21)22-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.0193 kcal/mol

Physical Properties
Molecular Weight: 298.342 g/mol	logS: -3.52186	SlogP: 3.0054	Reactive groups: 0

Topological Properties
Globularity: 0.0580606	Sterimol/B1: 2.45205	Sterimol/B2: 3.6342	Sterimol/B3: 3.96154
Sterimol/B4: 6.2314	Sterimol/L: 18.8758

Surface and Volume Properties
Accessible surface: 594.034	Positive charged surface: 382.615	Negative charged surface: 211.419	Volume: 293.25
Hydrophobic surface: 469.762	Hydrophilic surface: 124.272

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