MMsINC Database Search


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MMsINC code: MMs01665512

Type: Neutral
Formula: C₂₃H₃₀N₂O₃

SMILES:

O(CC)c1ccccc1C(=O)NCC(=O)N(Cc1ccc(cc1)C(C)(C)C)C

InChI:

InChI=1/C23H30N2O3/c1-6-28-20-10-8-7-9-19(20)22(27)24-15-21(26)25(5)16-17-11-13-18(14-12-17)23(2,3)4/h7-14H,6,15-16H2,1-5H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.249 kcal/mol

Physical Properties
Molecular Weight: 382.504 g/mol	logS: -5.76266	SlogP: 4.0376	Reactive groups: 0

Topological Properties
Globularity: 0.0901727	Sterimol/B1: 2.25629	Sterimol/B2: 4.53873	Sterimol/B3: 6.21368
Sterimol/B4: 6.99085	Sterimol/L: 19.5309

Surface and Volume Properties
Accessible surface: 708.931	Positive charged surface: 485.781	Negative charged surface: 223.151	Volume: 397.5
Hydrophobic surface: 562.778	Hydrophilic surface: 146.153

Pharmacophoric Properties
Hydrogen bond donors: 1	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.