MMsINC Database Search


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MMsINC code: MMs03293602

Type: Neutral
Formula: C₂₀H₁₈N₂O₄

SMILES:

O=C1c2c(cccc2NC(=O)C(=O)NCCCC)C(=O)c2c1cccc2

InChI:

InChI=1/C20H18N2O4/c1-2-3-11-21-19(25)20(26)22-15-10-6-9-14-16(15)18(24)13-8-5-4-7-12(13)17(14)23/h4-10H,2-3,11H2,1H3,(H,21,25)(H,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.1847 kcal/mol

Physical Properties
Molecular Weight: 350.374 g/mol	logS: -5.30386	SlogP: 2.3168	Reactive groups: 0

Topological Properties
Globularity: 0.0128717	Sterimol/B1: 2.53748	Sterimol/B2: 3.3278	Sterimol/B3: 5.18286
Sterimol/B4: 6.48482	Sterimol/L: 19.8073

Surface and Volume Properties
Accessible surface: 609.244	Positive charged surface: 373.798	Negative charged surface: 235.446	Volume: 328.5
Hydrophobic surface: 436.251	Hydrophilic surface: 172.993

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

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.