MMsINC Database Search


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MMsINC code: MMs02773968

Type: Neutral
Formula: C₂₁H₂₄N₂O₃

SMILES:

O(C(=O)c1ccccc1NC(=O)N1CCC(CC1)Cc1ccccc1)C

InChI:

InChI=1/C21H24N2O3/c1-26-20(24)18-9-5-6-10-19(18)22-21(25)23-13-11-17(12-14-23)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0707 kcal/mol

Physical Properties
Molecular Weight: 352.434 g/mol	logS: -4.47546	SlogP: 3.95977	Reactive groups: 0

Topological Properties
Globularity: 0.0606415	Sterimol/B1: 2.22915	Sterimol/B2: 3.08466	Sterimol/B3: 4.62431
Sterimol/B4: 8.70638	Sterimol/L: 17.3435

Surface and Volume Properties
Accessible surface: 627.232	Positive charged surface: 437.519	Negative charged surface: 189.713	Volume: 349.375
Hydrophobic surface: 572.516	Hydrophilic surface: 54.716

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.