MMsINC Database Search


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MMsINC code: MMs01752299

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

O(C(=O)C(NC(=O)Nc1ccc(cc1)C(C)C)Cc1ccccc1)C

InChI:

InChI=1/C20H24N2O3/c1-14(2)16-9-11-17(12-10-16)21-20(24)22-18(19(23)25-3)13-15-7-5-4-6-8-15/h4-12,14,18H,13H2,1-3H3,(H2,21,22,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.253 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -5.17009	SlogP: 3.71577	Reactive groups: 0

Topological Properties
Globularity: 0.0674575	Sterimol/B1: 2.76164	Sterimol/B2: 4.62095	Sterimol/B3: 6.20245
Sterimol/B4: 6.76747	Sterimol/L: 15.9648

Surface and Volume Properties
Accessible surface: 650.325	Positive charged surface: 425.999	Negative charged surface: 224.327	Volume: 345.875
Hydrophobic surface: 536.065	Hydrophilic surface: 114.26

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.