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MMsINC code: MMs01707069

Type: Neutral
Formula: C₁₈H₂₀N₂O₃

SMILES:

O(Cc1ccccc1)c1ccccc1C(=O)NCCNC(=O)C

InChI:

InChI=1/C18H20N2O3/c1-14(21)19-11-12-20-18(22)16-9-5-6-10-17(16)23-13-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.3552 kcal/mol

Physical Properties
Molecular Weight: 312.369 g/mol	logS: -3.52922	SlogP: 2.3979	Reactive groups: 0

Topological Properties
Globularity: 0.0393799	Sterimol/B1: 3.61721	Sterimol/B2: 3.61835	Sterimol/B3: 4.02347
Sterimol/B4: 8.90556	Sterimol/L: 16.8609

Surface and Volume Properties
Accessible surface: 611.067	Positive charged surface: 378.534	Negative charged surface: 232.533	Volume: 309.25
Hydrophobic surface: 516.873	Hydrophilic surface: 94.194

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.