MMsINC Database Search


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MMsINC code: MMs02739444

Type: Neutral
Formula: C₁₈H₁₈N₂O₃

SMILES:

O(C(C)C)c1ccccc1C1(NC(=O)NC1=O)c1ccccc1

InChI:

InChI=1/C18H18N2O3/c1-12(2)23-15-11-7-6-10-14(15)18(13-8-4-3-5-9-13)16(21)19-17(22)20-18/h3-12H,1-2H3,(H2,19,20,21,22)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3512 kcal/mol

Physical Properties
Molecular Weight: 310.353 g/mol	logS: -4.38108	SlogP: 2.8683	Reactive groups: 0

Topological Properties
Globularity: 0.43903	Sterimol/B1: 2.44727	Sterimol/B2: 4.92346	Sterimol/B3: 6.86598
Sterimol/B4: 6.87377	Sterimol/L: 12.4843

Surface and Volume Properties
Accessible surface: 509.926	Positive charged surface: 303.842	Negative charged surface: 206.084	Volume: 296.875
Hydrophobic surface: 351.385	Hydrophilic surface: 158.541

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.