MMsINC Database Search


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MMsINC code: MMs00482418

Type: Neutral
Formula: C₁₈H₂₀N₂O₃

SMILES:

OC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)/t15-,16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.0206 kcal/mol

Physical Properties
Molecular Weight: 312.369 g/mol	logS: -3.10905	SlogP: 1.36844	Reactive groups: 0

Topological Properties
Globularity: 0.11533	Sterimol/B1: 3.2433	Sterimol/B2: 4.36641	Sterimol/B3: 4.70317
Sterimol/B4: 7.216	Sterimol/L: 15.3289

Surface and Volume Properties
Accessible surface: 578.033	Positive charged surface: 335.695	Negative charged surface: 242.338	Volume: 306.5
Hydrophobic surface: 422.803	Hydrophilic surface: 155.23

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.