MMsINC Database Search


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MMsINC code: MMs02211190

Type: Neutral
Formula: C₂₄H₂₂N₂O₃

SMILES:

O=C1N(CCN(C(=O)CC)c2ccccc2C)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C24H22N2O3/c1-3-21(27)25(20-13-5-4-8-16(20)2)14-15-26-23(28)18-11-6-9-17-10-7-12-19(22(17)18)24(26)29/h4-13H,3,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.3651 kcal/mol

Physical Properties
Molecular Weight: 386.451 g/mol	logS: -6.07265	SlogP: 4.18742	Reactive groups: 0

Topological Properties
Globularity: 0.0753078	Sterimol/B1: 1.969	Sterimol/B2: 3.69741	Sterimol/B3: 4.86749
Sterimol/B4: 8.57137	Sterimol/L: 15.8559

Surface and Volume Properties
Accessible surface: 637.665	Positive charged surface: 370.941	Negative charged surface: 255.635	Volume: 374.125
Hydrophobic surface: 544.453	Hydrophilic surface: 93.212

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.