MMsINC Database Search


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MMsINC code: MMs01484644

Type: Neutral
Formula: C₂₀H₁₈N₂O₃

SMILES:

O(C(=O)c1nc2c(cc1)cccc2)C(C(=O)N(C)c1ccccc1)C

InChI:

InChI=1/C20H18N2O3/c1-14(19(23)22(2)16-9-4-3-5-10-16)25-20(24)18-13-12-15-8-6-7-11-17(15)21-18/h3-14H,1-2H3/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.031 kcal/mol

Physical Properties
Molecular Weight: 334.375 g/mol	logS: -4.72572	SlogP: 3.4431	Reactive groups: 0

Topological Properties
Globularity: 0.0472323	Sterimol/B1: 2.27155	Sterimol/B2: 2.32957	Sterimol/B3: 4.99731
Sterimol/B4: 7.16251	Sterimol/L: 17.6579

Surface and Volume Properties
Accessible surface: 612.058	Positive charged surface: 343.72	Negative charged surface: 263.159	Volume: 323
Hydrophobic surface: 507.951	Hydrophilic surface: 104.107

Pharmacophoric Properties
Hydrogen bond donors: 0	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.