MMsINC Database Search


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MMsINC code: MMs02036088

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

OC(=O)C(NCc1ccccc1)CC(=O)Nc1c(cc(cc1C)C)C

InChI:

InChI=1/C20H24N2O3/c1-13-9-14(2)19(15(3)10-13)22-18(23)11-17(20(24)25)21-12-16-7-5-4-6-8-16/h4-10,17,21H,11-12H2,1-3H3,(H,22,23)(H,24,25)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.3323 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -3.79443	SlogP: 3.44986	Reactive groups: 0

Topological Properties
Globularity: 0.1518	Sterimol/B1: 3.79555	Sterimol/B2: 4.0467	Sterimol/B3: 5.49464
Sterimol/B4: 8.47377	Sterimol/L: 15.8514

Surface and Volume Properties
Accessible surface: 636.791	Positive charged surface: 397.477	Negative charged surface: 239.314	Volume: 342.75
Hydrophobic surface: 524.356	Hydrophilic surface: 112.435

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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.