MMsINC Database Search


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MMsINC code: MMs02787770

Type: Neutral
Formula: C₂₂H₂₀N₂O₄

SMILES:

Oc1ccc(N(C(=O)c2ccc(cc2)C(=O)N(C)c2ccc(O)cc2)C)cc1

InChI:

InChI=1/C22H20N2O4/c1-23(17-7-11-19(25)12-8-17)21(27)15-3-5-16(6-4-15)22(28)24(2)18-9-13-20(26)14-10-18/h3-14,25-26H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=221.496 kcal/mol

Physical Properties
Molecular Weight: 376.412 g/mol	logS: -4.38898	SlogP: 3.651	Reactive groups: 0

Topological Properties
Globularity: 0.0094575	Sterimol/B1: 2.33221	Sterimol/B2: 2.51294	Sterimol/B3: 2.97585
Sterimol/B4: 5.75517	Sterimol/L: 21.6885

Surface and Volume Properties
Accessible surface: 638.873	Positive charged surface: 384.303	Negative charged surface: 254.57	Volume: 351
Hydrophobic surface: 485.146	Hydrophilic surface: 153.727

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.