MMsINC Database Search


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MMsINC code: MMs00781821

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

O(C(C)C)CCCNC(=O)c1cc(NC(=O)c2ccccc2)ccc1

InChI:

InChI=1/C20H24N2O3/c1-15(2)25-13-7-12-21-19(23)17-10-6-11-18(14-17)22-20(24)16-8-4-3-5-9-16/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.7923 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -4.49983	SlogP: 3.4838	Reactive groups: 0

Topological Properties
Globularity: 0.0177031	Sterimol/B1: 2.08447	Sterimol/B2: 3.99358	Sterimol/B3: 4.81395
Sterimol/B4: 6.73896	Sterimol/L: 22.2973

Surface and Volume Properties
Accessible surface: 671.467	Positive charged surface: 423.574	Negative charged surface: 247.894	Volume: 347
Hydrophobic surface: 541.867	Hydrophilic surface: 129.6

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.