MMsINC Database Search


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MMsINC code: MMs02205023

Type: Neutral
Formula: C₂₄H₂₂N₂O₃

SMILES:

O=C1N(CCCN(C(=O)C)c2cc(ccc2)C)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C24H22N2O3/c1-16-7-3-10-19(15-16)25(17(2)27)13-6-14-26-23(28)20-11-4-8-18-9-5-12-21(22(18)20)24(26)29/h3-5,7-12,15H,6,13-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5611 kcal/mol

Physical Properties
Molecular Weight: 386.451 g/mol	logS: -6.3861	SlogP: 4.18742	Reactive groups: 0

Topological Properties
Globularity: 0.107787	Sterimol/B1: 2.13133	Sterimol/B2: 3.00104	Sterimol/B3: 6.16075
Sterimol/B4: 8.35495	Sterimol/L: 16.2954

Surface and Volume Properties
Accessible surface: 649.854	Positive charged surface: 370.989	Negative charged surface: 268.629	Volume: 374.875
Hydrophobic surface: 559.716	Hydrophilic surface: 90.138

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.