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MMsINC code: MMs02624617

Type: Neutral
Formula: C₂₂H₂₄N₂O₃

SMILES:

OC1=C(C(=O)c2ccccc2)C(N(CCN(C)C)C1=O)c1ccc(cc1)C

InChI:

InChI=1/C22H24N2O3/c1-15-9-11-16(12-10-15)19-18(20(25)17-7-5-4-6-8-17)21(26)22(27)24(19)14-13-23(2)3/h4-12,19,26H,13-14H2,1-3H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.9115 kcal/mol

Physical Properties
Molecular Weight: 364.445 g/mol	logS: -4.23441	SlogP: 3.23042	Reactive groups: 1

Topological Properties
Globularity: 0.147727	Sterimol/B1: 2.10977	Sterimol/B2: 4.1773	Sterimol/B3: 4.50577
Sterimol/B4: 9.71686	Sterimol/L: 15.8546

Surface and Volume Properties
Accessible surface: 631.025	Positive charged surface: 419.349	Negative charged surface: 211.676	Volume: 366.125
Hydrophobic surface: 520.656	Hydrophilic surface: 110.369

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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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